 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer03_STD_B3LYPDBJ_def2SVPD.in
 Output=30_ibuprofen_conformer03_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-41820.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     41821.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer03_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer03_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.859135000000     -0.797445000000      1.307905000000
  C                                                 1.475419000000     -0.773087000000      0.059735000000
  C                                                -0.519198000000     -0.667837000000      1.430715000000
  C                                                -1.322882000000     -0.517669000000      0.305982000000
  C                                                -0.712213000000     -0.493664000000     -0.948233000000
  C                                                 0.663373000000     -0.619230000000     -1.065423000000
  C                                                 2.970409000000     -0.867475000000     -0.082211000000
  C                                                 3.653427000000      0.477889000000     -0.397780000000
  C                                                 5.142776000000      0.265827000000     -0.664323000000
  C                                                 3.434072000000      1.499169000000      0.716682000000
  C                                                -2.832871000000     -0.408434000000      0.441812000000
  C                                                -3.288620000000      0.891062000000     -0.193882000000
  O                                                -3.674162000000      1.023041000000     -1.326622000000
  O                                                -3.185052000000      1.931949000000      0.663544000000
  H                                                 1.465467000000     -0.914551000000      2.198032000000
  H                                                -0.973985000000     -0.684881000000      2.413842000000
  H                                                -1.317893000000     -0.368693000000     -1.836932000000
  H                                                 1.116639000000     -0.598906000000     -2.049722000000
  H                                                 3.214767000000     -1.574910000000     -0.879790000000
  H                                                 3.401771000000     -1.271409000000      0.838508000000
  H                                                 3.194988000000      0.870891000000     -1.312084000000
  H                                                 5.304831000000     -0.437524000000     -1.483935000000
  H                                                 5.641346000000     -0.134788000000      0.222807000000
  H                                                 5.634047000000      1.205490000000     -0.924389000000
  H                                                 3.868992000000      1.144050000000      1.655622000000
  H                                                 2.373464000000      1.684234000000      0.888790000000
  H                                                 3.908029000000      2.451247000000      0.470321000000
  H                                                -3.064982000000     -0.343640000000      1.505550000000
  C                                                -3.561082000000     -1.603695000000     -0.175784000000
  H                                                -3.441613000000      2.729075000000      0.173539000000
  H                                                -3.372170000000     -1.659027000000     -1.246468000000
  H                                                -4.638896000000     -1.523016000000     -0.028230000000
  H                                                -3.211554000000     -2.526025000000      0.287996000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.859135   -0.797445    1.307905
      2          6           0        1.475419   -0.773087    0.059735
      3          6           0       -0.519198   -0.667837    1.430715
      4          6           0       -1.322882   -0.517669    0.305982
      5          6           0       -0.712213   -0.493664   -0.948233
      6          6           0        0.663373   -0.619230   -1.065423
      7          6           0        2.970409   -0.867475   -0.082211
      8          6           0        3.653427    0.477889   -0.397780
      9          6           0        5.142776    0.265827   -0.664323
     10          6           0        3.434072    1.499169    0.716682
     11          6           0       -2.832871   -0.408434    0.441812
     12          6           0       -3.288620    0.891062   -0.193882
     13          8           0       -3.674162    1.023041   -1.326622
     14          8           0       -3.185052    1.931949    0.663544
     15          1           0        1.465467   -0.914551    2.198032
     16          1           0       -0.973985   -0.684881    2.413842
     17          1           0       -1.317893   -0.368693   -1.836932
     18          1           0        1.116639   -0.598906   -2.049722
     19          1           0        3.214767   -1.574910   -0.879790
     20          1           0        3.401771   -1.271409    0.838508
     21          1           0        3.194988    0.870891   -1.312084
     22          1           0        5.304831   -0.437524   -1.483935
     23          1           0        5.641346   -0.134788    0.222807
     24          1           0        5.634047    1.205490   -0.924389
     25          1           0        3.868992    1.144050    1.655622
     26          1           0        2.373464    1.684234    0.888790
     27          1           0        3.908029    2.451247    0.470321
     28          1           0       -3.064982   -0.343640    1.505550
     29          6           0       -3.561082   -1.603695   -0.175784
     30          1           0       -3.441613    2.729075    0.173539
     31          1           0       -3.372170   -1.659027   -1.246468
     32          1           0       -4.638896   -1.523016   -0.028230
     33          1           0       -3.211554   -2.526025    0.287996
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.392238   0.000000
     3  C    1.389850   2.422635   0.000000
     4  C    2.417297   2.820703   1.390497   0.000000
     5  C    2.766148   2.424832   2.393112   1.395187   0.000000
     6  C    2.388047   1.396091   2.762525   2.415838   1.386267
     7  C    2.528795   1.504677   3.808695   4.324975   3.801504
     8  C    3.513390   2.553033   4.697540   5.123482   4.506188
     9  C    4.834233   3.879834   6.108917   6.584838   5.910865
    10  C    3.500612   3.071001   4.564439   5.183138   4.892341
    11  C    3.812133   4.340543   2.529486   1.520016   2.537061
    12  C    4.723377   5.052700   3.569199   2.469517   3.020660
    13  O    5.550287   5.627277   4.518382   3.250800   3.349136
    14  O    4.921406   5.422342   3.801870   3.097766   3.820518
    15  H    1.083364   2.142994   2.142087   3.392972   3.849470
    16  H    2.143851   3.398408   1.083356   2.143073   3.377667
    17  H    3.848802   3.400511   3.377117   2.148092   1.082706
    18  H    3.373334   2.146828   3.846317   3.392227   2.137534
    19  H    3.307486   2.133298   4.483716   4.807710   4.073690
    20  H    2.628683   2.136737   4.011110   4.813944   4.552164
    21  H    3.886373   2.746173   4.866807   4.995737   4.154590
    22  H    5.261951   4.142453   6.516713   6.865625   6.041105
    23  H    4.948343   4.217697   6.300435   6.975241   6.470536
    24  H    5.638676   4.709294   6.849693   7.271998   6.569833
    25  H    3.598548   3.457089   4.752865   5.615905   5.518116
    26  H    2.937274   2.744493   3.767415   4.341776   4.199916
    27  H    4.533354   4.059865   5.500126   6.016968   5.659632
    28  H    3.955211   4.784354   2.567435   2.122301   3.402805
    29  C    4.731775   5.109963   3.565070   2.533987   3.153554
    30  H    5.676228   6.037822   4.654032   3.879163   4.369673
    31  H    5.017080   5.098056   4.035990   2.812895   2.919313
    32  H    5.704389   6.160761   4.453287   3.481145   4.162308
    33  H    4.538580   5.009253   3.465177   2.756973   3.450429
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.520069   0.000000
     8  C    3.254203   1.541461   0.000000
     9  C    4.583586   2.518413   1.527801   0.000000
    10  C    3.916668   2.540515   1.527467   2.519519   0.000000
    11  C    3.813124   5.844945   6.600193   8.080168   6.556606
    12  C    4.319585   6.502335   6.957320   8.467625   6.811278
    13  O    4.645373   7.019468   7.406315   8.874143   7.411395
    14  O    4.930336   6.803133   7.071456   8.596041   6.633470
    15  H    3.373530   2.732503   3.669373   4.807179   3.449036
    16  H    3.845847   4.671388   5.538068   6.913300   5.203979
    17  H    2.140890   4.660189   5.244224   6.596808   5.708855
    18  H    1.083839   2.716559   3.213050   4.344752   4.174375
    19  H    2.730823   1.093758   2.153773   2.674314   3.470847
    20  H    3.398399   1.094056   2.156799   2.766350   2.773443
    21  H    2.947944   2.141247   1.095705   2.139994   2.137238
    22  H    4.663829   2.756667   2.178267   1.092121   3.477533
    23  H    5.164730   2.786354   2.170789   1.093647   2.790302
    24  H    5.296895   3.478709   2.174759   1.091764   2.760299
    25  H    4.559521   2.806020   2.169493   2.788538   1.094017
    26  H    3.471211   2.794710   2.179182   3.477517   1.090303
    27  H    4.723784   3.492612   2.170844   2.754647   1.091687
    28  H    4.537233   6.262694   7.030974   8.511586   6.801173
    29  C    4.427940   6.573519   7.512085   8.915768   7.704313
    30  H    5.440320   7.356263   7.465510   8.970024   7.005906
    31  H    4.171278   6.496950   7.392273   8.749186   7.755842
    32  H    5.477833   7.637681   8.538314   9.964220   8.652243
    33  H    4.525778   6.411280   7.524743   8.859807   7.781408
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516741   0.000000
    13  O    2.425747   1.203811   0.000000
    14  O    2.377097   1.352535   2.241897   0.000000
    15  H    4.670779   5.619861   6.526349   5.664322   0.000000
    16  H    2.724111   3.826402   4.919250   3.847098   2.459725
    17  H    2.736679   2.858384   2.783764   3.877063   4.932138
    18  H    4.673612   5.007040   5.109340   5.680808   4.273725
    19  H    6.299303   6.988958   7.376066   7.459063   3.601265
    20  H    6.306572   7.106577   7.747330   7.326551   2.392682
    21  H    6.406864   6.579358   6.870850   6.762681   4.301158
    22  H    8.362508   8.790721   9.098369   9.072165   5.340894
    23  H    8.481462   8.998349   9.514199   9.075844   4.684817
    24  H    8.726967   8.958041   9.318682   8.990316   5.623268
    25  H    6.985593   7.397032   8.112188   7.166906   3.210760
    26  H    5.628941   5.818977   6.474489   5.568590   3.048320
    27  H    7.322453   7.393720   7.922020   7.114689   4.503298
    28  H    1.090694   2.112480   3.203141   2.429341   4.618489
    29  C    1.529825   2.509656   2.870010   3.653307   5.601439
    30  H    3.207257   1.880611   2.283662   0.970226   6.438479
    31  H    2.169128   2.760049   2.700206   4.071642   5.985111
    32  H    2.173697   2.771003   3.016445   3.811692   6.526080
    33  H    2.156676   3.451757   3.926432   4.473843   5.302793
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276368   0.000000
    18  H    4.929656   2.454633   0.000000
    19  H    5.402389   4.787075   2.592965   0.000000
    20  H    4.687530   5.499828   3.743790   1.754888   0.000000
    21  H    5.803730   4.709366   2.650273   2.483790   3.042574
    22  H    7.394416   6.632482   4.229316   2.454996   3.116207
    23  H    6.990411   7.261422   5.084562   3.029514   2.585864
    24  H    7.640901   7.186116   4.992914   3.685855   3.771723
    25  H    5.232047   6.433514   4.933854   3.774794   2.592376
    26  H    4.375375   5.026946   3.927746   3.802326   3.129819
    27  H    6.119365   6.370694   4.842097   4.302715   3.774921
    28  H    2.305148   3.771622   5.494640   6.829430   6.566932
    29  C    3.774050   3.052301   5.138319   6.812385   7.044184
    30  H    4.771084   4.260088   6.065971   7.996323   7.954745
    31  H    4.483093   2.496731   4.681718   6.597671   7.098144
    32  H    4.483052   3.953849   6.169813   7.899865   8.091160
    33  H    3.593849   3.571464   5.283178   6.600450   6.753754
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.488558   0.000000
    23  H    3.058096   1.765746   0.000000
    24  H    2.492243   1.766627   1.764216   0.000000
    25  H    3.055516   3.797345   2.613355   3.126604   0.000000
    26  H    2.486016   4.327192   3.798872   3.761411   1.765342
    27  H    2.486548   3.757016   3.123016   2.544851   1.765000
    28  H    6.971468   8.888172   8.802795   9.163925   7.093359
    29  C    7.284177   9.037457   9.327446   9.643771   8.130815
    30  H    7.050134   9.448537   9.523880   9.267921   7.625865
    31  H    7.037923   8.765775   9.258809   9.456275   8.289378
    32  H    8.291490  10.108169  10.376588  10.666827   9.073740
    33  H    7.425838   8.945971   9.170393   9.676711   8.091600
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765875   0.000000
    28  H    5.836897   7.583269   0.000000
    29  C    6.867505   8.523358   2.158874   0.000000
    30  H    5.951336   7.360877   3.370116   4.348470   0.000000
    31  H    6.982051   8.534812   3.065650   1.088629   4.612665
    32  H    7.765344   9.438922   2.494116   1.090855   4.422044
    33  H    7.019947   8.688782   2.503343   1.089933   5.261378
                   31         32         33
    31  H    0.000000
    32  H    1.762724   0.000000
    33  H    1.769763   1.772944   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.90D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.859135   -0.797445    1.307905
      2          6           0        1.475419   -0.773087    0.059735
      3          6           0       -0.519198   -0.667837    1.430715
      4          6           0       -1.322882   -0.517669    0.305982
      5          6           0       -0.712213   -0.493664   -0.948233
      6          6           0        0.663373   -0.619230   -1.065423
      7          6           0        2.970409   -0.867475   -0.082211
      8          6           0        3.653427    0.477889   -0.397780
      9          6           0        5.142776    0.265827   -0.664323
     10          6           0        3.434072    1.499169    0.716682
     11          6           0       -2.832871   -0.408434    0.441812
     12          6           0       -3.288620    0.891062   -0.193882
     13          8           0       -3.674162    1.023041   -1.326622
     14          8           0       -3.185052    1.931949    0.663544
     15          1           0        1.465467   -0.914551    2.198032
     16          1           0       -0.973985   -0.684881    2.413842
     17          1           0       -1.317893   -0.368693   -1.836932
     18          1           0        1.116639   -0.598906   -2.049722
     19          1           0        3.214767   -1.574910   -0.879790
     20          1           0        3.401771   -1.271409    0.838508
     21          1           0        3.194988    0.870891   -1.312084
     22          1           0        5.304831   -0.437524   -1.483935
     23          1           0        5.641346   -0.134788    0.222807
     24          1           0        5.634047    1.205490   -0.924389
     25          1           0        3.868992    1.144050    1.655622
     26          1           0        2.373464    1.684234    0.888790
     27          1           0        3.908029    2.451247    0.470321
     28          1           0       -3.064982   -0.343640    1.505550
     29          6           0       -3.561082   -1.603695   -0.175784
     30          1           0       -3.441613    2.729075    0.173539
     31          1           0       -3.372170   -1.659027   -1.246468
     32          1           0       -4.638896   -1.523016   -0.028230
     33          1           0       -3.211554   -2.526025    0.287996
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3245287           0.2608361           0.2514997
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       972.9962246704 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0618263817 Hartrees.
 Nuclear repulsion after empirical dispersion term =      972.9343982888 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:39 2021, MaxMem=  6442450944 cpu:               7.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  4.08D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:40 2021, MaxMem=  6442450944 cpu:               7.8 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer03_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               7.5 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 920000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.327647457783    
 DIIS: error= 3.40D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.327647457783     IErMin= 1 ErrMin= 3.40D-03
 ErrMax= 3.40D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-02 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.66D-01 WtEn= 3.40D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.222 Goal=   None    Shift=    0.000
 GapD=    0.222 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.69D-02 MaxDP=8.90D-01              OVMax= 1.52D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.13D-02    CP:  1.36D+00
 E= -656.337534564110     Delta-E=       -0.009887106326 Rises=F Damp=F
 DIIS: error= 5.21D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.337534564110     IErMin= 2 ErrMin= 5.21D-04
 ErrMax= 5.21D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.83D-04 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.21D-03
 Coeff-Com:  0.363D-01 0.964D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.362D-01 0.964D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=8.67D-04 MaxDP=4.94D-02 DE=-9.89D-03 OVMax= 7.18D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.77D-04    CP:  1.38D+00  1.04D+00
 E= -656.337386888490     Delta-E=        0.000147675619 Rises=F Damp=F
 DIIS: error= 6.66D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -656.337534564110     IErMin= 2 ErrMin= 5.21D-04
 ErrMax= 6.66D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.40D-04 BMatP= 3.83D-04
 IDIUse=3 WtCom= 2.79D-01 WtEn= 7.21D-01
 Coeff-Com: -0.135D-01 0.570D+00 0.444D+00
 Coeff-En:   0.000D+00 0.586D+00 0.414D+00
 Coeff:     -0.376D-02 0.582D+00 0.422D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.13D-04 MaxDP=5.90D-03 DE= 1.48D-04 OVMax= 3.97D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.13D-05    CP:  1.38D+00  1.04D+00  7.49D-01
 E= -656.337855070740     Delta-E=       -0.000468182250 Rises=F Damp=F
 DIIS: error= 1.32D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.337855070740     IErMin= 4 ErrMin= 1.32D-04
 ErrMax= 1.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-05 BMatP= 3.83D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.32D-03
 Coeff-Com: -0.848D-02 0.269D+00 0.216D+00 0.523D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.847D-02 0.269D+00 0.216D+00 0.524D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=3.55D-05 MaxDP=1.75D-03 DE=-4.68D-04 OVMax= 8.48D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.38D-05    CP:  1.38D+00  1.04D+00  6.90D-01  9.98D-01
 E= -656.337863282272     Delta-E=       -0.000008211531 Rises=F Damp=F
 DIIS: error= 3.89D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.337863282272     IErMin= 5 ErrMin= 3.89D-05
 ErrMax= 3.89D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-06 BMatP= 1.05D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.291D-02 0.685D-01 0.560D-01 0.290D+00 0.589D+00
 Coeff:     -0.291D-02 0.685D-01 0.560D-01 0.290D+00 0.589D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.36D-05 MaxDP=6.68D-04 DE=-8.21D-06 OVMax= 5.88D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.89D-06    CP:  1.38D+00  1.04D+00  7.00D-01  9.83D-01  8.22D-01
 E= -656.337864209618     Delta-E=       -0.000000927346 Rises=F Damp=F
 DIIS: error= 2.14D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.337864209618     IErMin= 6 ErrMin= 2.14D-05
 ErrMax= 2.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.92D-07 BMatP= 1.67D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.656D-03 0.475D-02 0.447D-02 0.118D+00 0.417D+00 0.457D+00
 Coeff:     -0.656D-03 0.475D-02 0.447D-02 0.118D+00 0.417D+00 0.457D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=4.72D-06 MaxDP=2.12D-04 DE=-9.27D-07 OVMax= 2.39D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.26D-06    CP:  1.38D+00  1.04D+00  7.02D-01  9.78D-01  8.19D-01
                    CP:  7.39D-01
 E= -656.337864680201     Delta-E=       -0.000000470583 Rises=F Damp=F
 DIIS: error= 1.91D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.337864680201     IErMin= 7 ErrMin= 1.91D-06
 ErrMax= 1.91D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.22D-09 BMatP= 5.92D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.117D-03-0.143D-02-0.939D-03 0.306D-01 0.135D+00 0.179D+00
 Coeff-Com:  0.657D+00
 Coeff:     -0.117D-03-0.143D-02-0.939D-03 0.306D-01 0.135D+00 0.179D+00
 Coeff:      0.657D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.33D-06 MaxDP=6.32D-05 DE=-4.71D-07 OVMax= 1.89D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.08D-06    CP:  1.38D+00  1.04D+00  7.02D-01  9.84D-01  8.30D-01
                    CP:  7.25D-01  8.61D-01
 E= -656.337864685336     Delta-E=       -0.000000005135 Rises=F Damp=F
 DIIS: error= 9.04D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.337864685336     IErMin= 8 ErrMin= 9.04D-07
 ErrMax= 9.04D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.81D-10 BMatP= 6.22D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.902D-05-0.105D-02-0.798D-03 0.595D-02 0.360D-01 0.536D-01
 Coeff-Com:  0.333D+00 0.573D+00
 Coeff:     -0.902D-05-0.105D-02-0.798D-03 0.595D-02 0.360D-01 0.536D-01
 Coeff:      0.333D+00 0.573D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=3.93D-07 MaxDP=1.61D-05 DE=-5.14D-09 OVMax= 1.09D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.77D-07    CP:  1.38D+00  1.04D+00  7.02D-01  9.84D-01  8.28D-01
                    CP:  7.31D-01  8.43D-01  8.01D-01
 E= -656.337864686203     Delta-E=       -0.000000000867 Rises=F Damp=F
 DIIS: error= 2.35D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.337864686203     IErMin= 9 ErrMin= 2.35D-07
 ErrMax= 2.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-10 BMatP= 9.81D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.660D-05-0.401D-03-0.313D-03-0.668D-04 0.549D-02 0.959D-02
 Coeff-Com:  0.112D+00 0.305D+00 0.569D+00
 Coeff:      0.660D-05-0.401D-03-0.313D-03-0.668D-04 0.549D-02 0.959D-02
 Coeff:      0.112D+00 0.305D+00 0.569D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.42D-07 MaxDP=6.38D-06 DE=-8.67D-10 OVMax= 4.63D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.42D-08    CP:  1.38D+00  1.04D+00  7.02D-01  9.84D-01  8.29D-01
                    CP:  7.30D-01  8.58D-01  7.79D-01  6.68D-01
 E= -656.337864686291     Delta-E=       -0.000000000088 Rises=F Damp=F
 DIIS: error= 9.53D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.337864686291     IErMin=10 ErrMin= 9.53D-08
 ErrMax= 9.53D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-11 BMatP= 1.09D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.461D-05-0.154D-03-0.121D-03-0.524D-03 0.494D-03 0.123D-02
 Coeff-Com:  0.393D-01 0.132D+00 0.330D+00 0.498D+00
 Coeff:      0.461D-05-0.154D-03-0.121D-03-0.524D-03 0.494D-03 0.123D-02
 Coeff:      0.393D-01 0.132D+00 0.330D+00 0.498D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=4.24D-08 MaxDP=2.29D-06 DE=-8.82D-11 OVMax= 1.85D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.83D-08    CP:  1.38D+00  1.04D+00  7.02D-01  9.84D-01  8.29D-01
                    CP:  7.31D-01  8.57D-01  7.85D-01  6.88D-01  6.59D-01
 E= -656.337864686307     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 3.00D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.337864686307     IErMin=11 ErrMin= 3.00D-08
 ErrMax= 3.00D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-12 BMatP= 1.24D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.163D-05-0.293D-04-0.225D-04-0.301D-03-0.460D-03-0.762D-03
 Coeff-Com:  0.630D-02 0.305D-01 0.104D+00 0.281D+00 0.579D+00
 Coeff:      0.163D-05-0.293D-04-0.225D-04-0.301D-03-0.460D-03-0.762D-03
 Coeff:      0.630D-02 0.305D-01 0.104D+00 0.281D+00 0.579D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.31D-08 MaxDP=5.89D-07 DE=-1.57D-11 OVMax= 5.10D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  8.29D-09    CP:  1.38D+00  1.04D+00  7.02D-01  9.84D-01  8.29D-01
                    CP:  7.30D-01  8.58D-01  7.87D-01  6.95D-01  6.96D-01
                    CP:  6.95D-01
 E= -656.337864686324     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 8.58D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -656.337864686324     IErMin=12 ErrMin= 8.58D-09
 ErrMax= 8.58D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.36D-14 BMatP= 1.28D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.337D-06-0.597D-07 0.751D-06-0.937D-04-0.221D-03-0.476D-03
 Coeff-Com: -0.516D-03 0.224D-02 0.187D-01 0.870D-01 0.274D+00 0.620D+00
 Coeff:      0.337D-06-0.597D-07 0.751D-06-0.937D-04-0.221D-03-0.476D-03
 Coeff:     -0.516D-03 0.224D-02 0.187D-01 0.870D-01 0.274D+00 0.620D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=3.54D-09 MaxDP=1.29D-07 DE=-1.71D-11 OVMax= 1.28D-07

 SCF Done:  E(RB3LYP) =  -656.337864686     A.U. after   12 cycles
            NFock= 12  Conv=0.35D-08     -V/T= 2.0112
 KE= 6.490933644853D+02 PE=-3.468594790672D+03 EE= 1.190229163211D+03
 Leave Link  502 at Wed Sep  8 12:35:45 2021, MaxMem=  6442450944 cpu:            2890.8 elap:             362.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.53398245D+02

 Leave Link  801 at Wed Sep  8 12:35:46 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10066 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 5.21D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 4.75D-01 1.74D-01.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 8.83D-02 9.95D-02.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 9.45D-03 2.17D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 2.09D-03 1.33D-02.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 1.01D-04 1.99D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 4.36D-06 4.71D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 1.42D-07 4.97D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 3.18D-09 7.33D-06.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 6.96D-11 1.17D-06.
      8 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 1.34D-12 2.30D-07.
      3 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 1.99D-14 2.51D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.223143D+03
      2 -0.123382D+01  0.134629D+03
      3  0.545222D+00 -0.511942D-01  0.153473D+03
 Isotropic polarizability for W=    0.088559      170.41 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.237608D+03  0.373989D+02 -0.781339D+02
      2  -0.130860D+03 -0.381906D+01  0.349098D+02
      3  -0.106748D+03 -0.335798D+02  0.432241D+02
      4  -0.395190D+02  0.554218D+02  0.104659D+02
      5  -0.504040D+02  0.681061D+01  0.907822D+02
      6   0.710691D+01  0.117300D+02 -0.504050D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.765601D+01 -0.227799D+01  0.233434D+02
      2  -0.461691D+02  0.509257D+01  0.420998D+02
      3  -0.105332D+03 -0.305894D+02 -0.198998D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.365533D+01 -0.231798D+02  0.168252D+02
      2  -0.277299D+02  0.335903D+01  0.197530D+03
      3  -0.769179D+02 -0.186282D+03  0.296298D+00
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.637460D+00  0.574807D+01  0.129856D+02
      2   0.574807D+01 -0.398324D+01 -0.147160D+01
      3   0.129856D+02 -0.147160D+01 -0.120764D+01
 OR G Eigenvalues:   -15.5333    -2.3786    13.3585  Iso=     1.5178
 Eigenvectors:
   (1)   0.655483  -0.407244  -0.635999
   (2)   0.139776   0.893019  -0.427761
   (3)   0.742162   0.191492   0.642282
 w=    0.088559 a.u., Optical Rotation Beta=      1.5178 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      373.10 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 6.28D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.55D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 3.34D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 6.61D-02 5.77D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 2.05D-03 8.28D-03.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 5.31D-05 1.10D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 6.63D-07 1.19D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 6.59D-09 7.77D-06.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 4.75D-11 6.99D-07.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 2.58D-13 5.84D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 2.29D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 2.29D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.88D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.223143D+03 -0.123382D+01  0.545222D+00
      2  -0.123382D+01  0.134629D+03 -0.511942D-01
      3   0.545222D+00 -0.511942D-01  0.153473D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.765601D+01 -0.227799D+01  0.233434D+02
      2  -0.461691D+02  0.509257D+01  0.420998D+02
      3  -0.105332D+03 -0.305894D+02 -0.198998D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.237608D+03  0.373989D+02 -0.781339D+02
      2  -0.130860D+03 -0.381906D+01  0.349098D+02
      3  -0.106748D+03 -0.335798D+02  0.432241D+02
      4  -0.395190D+02  0.554218D+02  0.104659D+02
      5  -0.504040D+02  0.681061D+01  0.907822D+02
      6   0.710691D+01  0.117300D+02 -0.504050D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.131912D+02  0.845656D+00  0.142396D+00  0.188191D+01  0.227294D+01
      2   0.845656D+00  0.115338D+01 -0.521809D-01  0.227294D+01 -0.171665D+01
      3   0.142396D+00 -0.521809D-01  0.316628D+01  0.715710D+00  0.339781D+01
                 6             7             8             9            10 
      1   0.715710D+00  0.156007D+02  0.566876D+00 -0.156353D+01  0.342777D+02
      2   0.339781D+01  0.566876D+00  0.141315D+01  0.425776D+00  0.104651D+01
      3  -0.456252D+00 -0.156353D+01  0.425776D+00  0.113476D+00 -0.167612D+01
                11            12            13            14            15 
      1   0.104651D+01 -0.167612D+01 -0.179107D+01  0.500697D+01  0.532865D+00
      2   0.148237D+01 -0.280374D+00  0.500697D+01 -0.100646D+01 -0.191295D+00
      3  -0.280374D+00  0.323895D+01  0.532865D+00 -0.191295D+00 -0.695731D+00
                16            17            18            19            20 
      1  -0.429855D+01  0.472516D+00  0.944006D+00  0.155931D+02 -0.786127D+00
      2   0.472516D+00 -0.475671D+00 -0.826693D+00 -0.786127D+00 -0.127635D+01
      3   0.944006D+00 -0.826693D+00  0.762160D+00 -0.288920D+00  0.103010D+01
                21            22            23            24            25 
      1  -0.288920D+00 -0.213402D+00 -0.230108D+01  0.647103D+00  0.137007D+02
      2   0.103010D+01 -0.230108D+01 -0.248740D+00  0.350389D+01 -0.119526D+01
      3  -0.248643D+01  0.647103D+00  0.350389D+01  0.584046D+00  0.141710D+01
                26            27            28            29            30 
      1  -0.119526D+01  0.141710D+01 -0.324115D+02  0.161622D+00  0.325845D+00
      2   0.221328D+01  0.165448D+00  0.161622D+00 -0.146644D+01 -0.764531D-01
      3   0.165448D+00  0.610273D+00  0.325845D+00 -0.764531D-01 -0.262518D+01
                31            32            33            34            35 
      1   0.304887D+01 -0.554082D+01 -0.501113D-01  0.150377D+01 -0.127313D+00
      2  -0.554082D+01  0.585358D+00 -0.927226D-01 -0.127313D+00 -0.765660D+00
      3  -0.501113D-01 -0.927226D-01  0.177189D+00 -0.607734D+00 -0.353147D+00
                36            37            38            39            40 
      1  -0.607734D+00  0.109612D+02 -0.436108D+00 -0.292634D+00  0.496758D+00
      2  -0.353147D+00 -0.436108D+00 -0.111544D+01 -0.767861D+00 -0.173840D+01
      3   0.102933D+01 -0.292634D+00 -0.767861D+00 -0.243743D+01 -0.442681D+00
                41            42            43            44            45 
      1  -0.173840D+01 -0.442681D+00 -0.155325D+02  0.753494D+00  0.317232D+00
      2   0.765046D+00 -0.298495D+01  0.753494D+00 -0.154206D+01 -0.417504D-01
      3  -0.298495D+01  0.545170D-01  0.317232D+00 -0.417504D-01 -0.105833D+01
                46            47            48            49            50 
      1  -0.124514D+02  0.218587D+00  0.422286D+00  0.213946D+01  0.148919D+01
      2   0.218587D+00  0.953349D+00  0.104612D+00  0.148919D+01 -0.501929D+00
      3   0.422286D+00  0.104612D+00  0.122706D+01 -0.741436D+00 -0.338512D+01
                51            52            53            54            55 
      1  -0.741436D+00 -0.123235D+02 -0.253488D+00 -0.528447D+00 -0.176258D+02
      2  -0.338512D+01 -0.253488D+00 -0.163879D+01  0.381066D-01 -0.209054D+01
      3  -0.845107D+00 -0.528447D+00  0.381066D-01 -0.785647D+00  0.682564D+00
                56            57            58            59            60 
      1  -0.209054D+01  0.682564D+00 -0.897387D+01 -0.742458D+01  0.509357D+00
      2  -0.296002D+01  0.359796D+00 -0.742458D+01  0.299717D+00  0.156991D+01
      3   0.359796D+00 -0.204332D+01  0.509357D+00  0.156991D+01  0.308870D+01
                61            62            63            64            65 
      1   0.577739D+01  0.490605D+00 -0.408952D+01  0.760230D+00  0.250806D+01
      2   0.490605D+00  0.213856D+01  0.405361D+01  0.250806D+01  0.355127D+01
      3  -0.408952D+01  0.405361D+01 -0.949204D+00  0.265775D+01 -0.896024D+00
                66            67            68            69            70 
      1   0.265775D+01  0.140099D+02  0.695896D+01 -0.201672D+01  0.164578D+00
      2  -0.896024D+00  0.695896D+01  0.114766D+01 -0.184723D+01 -0.116227D+01
      3   0.246910D+01 -0.201672D+01 -0.184723D+01 -0.343650D+01  0.376327D+01
                71            72            73            74            75 
      1  -0.116227D+01  0.376327D+01  0.454204D+01 -0.149796D+01 -0.234155D+01
      2  -0.224656D+01 -0.381272D+01 -0.149796D+01 -0.337011D+01  0.114048D+01
      3  -0.381272D+01  0.321000D+01 -0.234155D+01  0.114048D+01 -0.234498D+01
                76            77            78            79            80 
      1  -0.427656D+01 -0.582430D+01  0.154126D+01 -0.214944D+01  0.126549D+01
      2  -0.582430D+01 -0.214994D+01  0.314964D+01  0.126549D+01  0.282749D+01
      3   0.154126D+01  0.314964D+01  0.355113D+01 -0.385436D+01  0.378065D+01
                81            82            83            84            85 
      1  -0.385436D+01  0.554540D+01 -0.256600D+01 -0.193461D+01 -0.427452D+01
      2   0.378065D+01 -0.256600D+01 -0.321990D+01  0.815472D+00 -0.423024D+01
      3   0.195072D-01 -0.193461D+01  0.815472D+00 -0.203058D+01  0.138609D+01
                86            87            88            89            90 
      1  -0.423024D+01  0.138609D+01 -0.146187D+01  0.120567D+01 -0.260887D+01
      2  -0.404452D+01  0.193570D+01  0.120567D+01  0.325628D+01  0.263353D+01
      3   0.193570D+01  0.289944D+01 -0.260887D+01  0.263353D+01 -0.312609D+01
                91            92            93            94            95 
      1   0.636547D+01  0.238015D+01 -0.346410D+00 -0.722107D+00  0.736554D+01
      2   0.238015D+01  0.251541D+01  0.806923D+00  0.736554D+01 -0.270960D+01
      3  -0.346410D+00  0.806923D+00  0.100719D+01  0.421012D+00  0.145755D+01
                96            97            98            99           100 
      1   0.421012D+00  0.407752D+01  0.486596D+00  0.152388D+01  0.353321D+01
      2   0.145755D+01  0.486596D+00  0.353356D+01 -0.304547D+00 -0.161162D+01
      3  -0.279016D+00  0.152388D+01 -0.304547D+00 -0.501876D+01  0.229840D+01
               101           102           103           104           105 
      1  -0.161162D+01  0.229840D+01 -0.162822D+01 -0.185465D+01 -0.422677D+00
      2  -0.487838D-01 -0.778679D+00 -0.185465D+01  0.373253D+01 -0.202109D+01
      3  -0.778679D+00  0.960191D+00 -0.422677D+00 -0.202109D+01 -0.492098D+00
               106           107           108           109           110 
      1   0.459335D+01 -0.223059D+01  0.250751D+01 -0.550039D+01  0.117470D+01
      2  -0.223059D+01  0.104307D+00 -0.171567D+01  0.117470D+01 -0.113116D+01
      3   0.250751D+01 -0.171567D+01  0.470959D+01 -0.402502D+01  0.508301D+00
               111           112           113           114           115 
      1  -0.402502D+01  0.112374D+01 -0.129756D+01  0.704001D+00 -0.107824D+02
      2   0.508301D+00 -0.129756D+01  0.252034D+00 -0.166273D+01  0.319266D+01
      3  -0.219887D+01  0.704001D+00 -0.166273D+01  0.965428D+00 -0.473774D+01
               116           117           118           119           120 
      1   0.319266D+01 -0.473774D+01  0.639557D+00  0.383159D+00  0.119615D+01
      2  -0.414370D+01  0.171312D+01  0.383159D+00  0.223560D+01 -0.176049D+00
      3   0.171312D+01 -0.937620D+01  0.119615D+01 -0.176049D+00  0.124002D+00
               121           122           123           124           125 
      1   0.225999D+01  0.158645D+01 -0.561485D+00  0.417372D+01 -0.233161D+01
      2   0.158645D+01 -0.445375D+01  0.305013D+01 -0.233161D+01  0.580427D+01
      3  -0.561485D+00  0.305013D+01  0.350060D+00 -0.501558D+00  0.194707D+01
               126           127           128           129           130 
      1  -0.501558D+00  0.332631D+01 -0.394774D+00  0.274114D+01 -0.134797D+01
      2   0.194707D+01 -0.394774D+00  0.418081D+00 -0.536862D+00  0.239173D+00
      3   0.308195D+01  0.274114D+01 -0.536862D+00  0.285829D+01 -0.517882D+00
               131           132           133           134           135 
      1   0.239173D+00 -0.517882D+00  0.295295D+01 -0.491723D+00  0.345774D+01
      2  -0.197390D+00  0.223389D+00 -0.491723D+00  0.913907D+00 -0.105446D+01
      3   0.223389D+00 -0.635610D+00  0.345774D+01 -0.105446D+01  0.675222D+01
               136           137           138           139           140 
      1  -0.219935D+01 -0.976482D-01  0.230077D+01  0.168778D+00  0.338811D-01
      2  -0.976482D-01 -0.151641D+00  0.709881D-01  0.338811D-01 -0.898125D-01
      3   0.230077D+01  0.709881D-01 -0.258979D+01 -0.925419D-01  0.135320D+00
               141           142           143           144           145 
      1  -0.925419D-01  0.219441D+01  0.266301D+00 -0.312629D+01 -0.346160D+01
      2   0.135320D+00  0.266301D+00  0.806679D+00 -0.569673D+00  0.441820D+00
      3  -0.280683D+00 -0.312629D+01 -0.569673D+00  0.864388D+01 -0.206993D+01
               146           147           148           149           150 
      1   0.441820D+00 -0.206993D+01  0.800476D+00 -0.156552D+00  0.461447D+00
      2  -0.446641D+00  0.221054D+00 -0.156552D+00  0.161236D+00 -0.150311D+00
      3   0.221054D+00 -0.199155D+01  0.461447D+00 -0.150311D+00  0.513779D+00
               151           152           153           154           155 
      1  -0.265442D+01  0.251691D+00 -0.291182D+01  0.228124D+01  0.622640D-01
      2   0.251691D+00 -0.787459D+00  0.402974D+00  0.622640D-01  0.186038D+00
      3  -0.291182D+01  0.402974D+00 -0.561893D+01 -0.217255D+01  0.169034D+00
               156           157           158           159           160 
      1  -0.217255D+01 -0.269176D+00 -0.242041D-01  0.118232D+00 -0.248264D+01
      2   0.169034D+00 -0.242041D-01 -0.766032D-01 -0.160203D+00 -0.103154D+00
      3   0.227262D+01  0.118232D+00 -0.160203D+00  0.170251D+00  0.310990D+01
               161           162           163           164           165 
      1  -0.103154D+00  0.310990D+01  0.287230D+01 -0.114300D+01 -0.144055D+01
      2  -0.747233D+00 -0.164146D+00 -0.114300D+01  0.139436D+01  0.550385D+00
      3  -0.164146D+00 -0.795213D+01 -0.144055D+01  0.550385D+00  0.737985D+00
               166           167           168           169           170 
      1  -0.152769D+01  0.257356D+01  0.101172D+01 -0.669653D+01  0.102969D+01
      2   0.257356D+01 -0.429203D+01 -0.238341D+01  0.102969D+01 -0.327112D+01
      3   0.101172D+01 -0.238341D+01 -0.190603D+01  0.252392D+01 -0.267105D+01
               171           172           173           174           175 
      1   0.252392D+01  0.260581D+01 -0.884840D+00  0.166911D+01 -0.280557D-01
      2  -0.267105D+01 -0.884840D+00  0.147038D+01 -0.714011D+00  0.167869D+01
      3  -0.301874D+01  0.166911D+01 -0.714011D+00  0.128044D+01 -0.613992D+00
               176           177           178           179           180 
      1   0.167869D+01 -0.613992D+00  0.458682D+01 -0.837737D+00  0.197981D+01
      2  -0.191279D+01  0.113322D+01 -0.837737D+00  0.202306D+01 -0.211650D+01
      3   0.113322D+01 -0.118917D+01  0.197981D+01 -0.211650D+01  0.349970D+01
               181           182           183           184           185 
      1  -0.196433D+01 -0.155194D+00 -0.165403D+01 -0.672836D+00 -0.989653D+00
      2  -0.155194D+00 -0.124981D+01  0.473347D+00 -0.989653D+00  0.144553D+01
      3  -0.165403D+01  0.473347D+00 -0.145193D+01  0.313808D+00 -0.111518D+01
               186           187           188           189           190 
      1   0.313808D+00 -0.280926D+01  0.191097D+00 -0.106367D+01  0.820976D+00
      2  -0.111518D+01  0.191097D+00 -0.142272D+01  0.185934D+01 -0.958214D+00
      3   0.204148D+01 -0.106367D+01  0.185934D+01 -0.539322D+01 -0.101375D+01
               191           192           193           194           195 
      1  -0.958214D+00 -0.101375D+01 -0.240412D+01  0.195959D+01  0.135991D+01
      2   0.761058D+00  0.414117D+00  0.195959D+01 -0.293334D+01 -0.255005D+01
      3   0.414117D+00  0.105474D+01  0.135991D+01 -0.255005D+01 -0.293553D+01
               196           197           198           199           200 
      1  -0.261916D+01  0.985896D+00  0.269009D+01  0.357180D+01 -0.836194D+00
      2   0.985896D+00 -0.258907D+01 -0.266724D+01 -0.836194D+00  0.106373D+01
      3   0.269009D+01 -0.266724D+01 -0.476715D+01  0.188086D+01 -0.598446D+00
               201           202           203           204           205 
      1   0.188086D+01 -0.172206D+01  0.176526D+01 -0.801810D+00  0.482312D+01
      2  -0.598446D+00  0.176526D+01 -0.112385D+01  0.663491D+00 -0.105097D+01
      3   0.164636D+01 -0.801810D+00  0.663491D+00 -0.141637D+01  0.266983D+01
               206           207           208           209           210 
      1  -0.105097D+01  0.266983D+01  0.418023D+01  0.275871D+01 -0.942634D+00
      2   0.124328D+01 -0.137392D+01  0.275871D+01  0.232550D+01 -0.780881D+00
      3  -0.137392D+01  0.359878D+01 -0.942634D+00 -0.780881D+00  0.920272D+00
               211           212           213           214           215 
      1   0.643055D+01  0.446834D+01 -0.169989D+01 -0.131193D+01 -0.101789D+01
      2   0.446834D+01  0.544484D+01 -0.160776D+01 -0.101789D+01 -0.136123D+01
      3  -0.169989D+01 -0.160776D+01  0.120410D+01  0.177546D+01  0.771492D+00
               216           217           218           219           220 
      1   0.177546D+01  0.137109D+01  0.200618D+00  0.179510D+01 -0.589767D+00
      2   0.771492D+00  0.200618D+00  0.101504D+01  0.113993D-01  0.632699D+00
      3  -0.115365D+01  0.179510D+01  0.113993D-01  0.227021D+01 -0.581740D+00
               221           222           223           224           225 
      1   0.632699D+00 -0.581740D+00  0.229861D+01  0.402898D-01  0.224133D+01
      2  -0.298638D+00  0.607327D+00  0.402898D-01  0.110463D+01 -0.152472D+00
      3   0.607327D+00 -0.172599D+01  0.224133D+01 -0.152472D+00  0.624073D+01
               226           227           228           229           230 
      1  -0.851017D+01  0.557394D+00  0.111340D+01  0.208899D+00 -0.119782D+01
      2   0.557394D+00 -0.205555D+01 -0.839082D+00 -0.119782D+01  0.121733D+01
      3   0.111340D+01 -0.839082D+00 -0.103744D+01 -0.520693D+00  0.915365D-01
               231           232           233           234           235 
      1  -0.520693D+00  0.108784D+01 -0.370615D+00 -0.506417D+00  0.232333D+01
      2   0.915365D-01 -0.370615D+00 -0.378489D-01  0.209859D+00  0.278090D+01
      3   0.754104D-01 -0.506417D+00  0.209859D+00  0.996404D+00  0.128844D+00
               236           237           238           239           240 
      1   0.278090D+01  0.128844D+00  0.286766D+01  0.396247D+01 -0.861434D-01
      2   0.325862D+01  0.952391D-01  0.396247D+01  0.865289D+01 -0.136715D+00
      3   0.952391D-01  0.773600D+00 -0.861434D-01 -0.136715D+00  0.753081D+00
               241           242           243           244           245 
      1  -0.977934D+00 -0.777914D+00  0.849692D+00  0.211616D+00 -0.463897D+00
      2  -0.777914D+00 -0.177547D+01  0.704936D+00 -0.463897D+00 -0.527374D+00
      3   0.849692D+00  0.704936D+00 -0.216971D+00  0.169473D+01 -0.110057D+00
               246           247           248           249           250 
      1   0.169473D+01 -0.462785D+00 -0.989517D+00 -0.102133D+00  0.294023D+01
      2  -0.110057D+00 -0.989517D+00  0.266467D+00  0.795735D+00 -0.142802D-01
      3  -0.125850D+01 -0.102133D+00  0.795735D+00  0.236763D-01 -0.208304D+01
               251           252           253           254           255 
      1  -0.142802D-01 -0.208304D+01  0.912133D+01 -0.465498D+00 -0.123958D+01
      2   0.120673D+01  0.173375D-01 -0.465498D+00 -0.378363D+01 -0.121179D-01
      3   0.173375D-01  0.647387D+01 -0.123958D+01 -0.121179D-01 -0.107235D+01
               256           257           258           259           260 
      1  -0.678374D+01 -0.457079D+01 -0.658489D+00 -0.471183D+01 -0.920588D+00
      2  -0.457079D+01  0.187433D+01 -0.255287D+01 -0.920588D+00 -0.366089D+01
      3  -0.658489D+00 -0.255287D+01  0.467759D+00 -0.125743D+01  0.122740D+01
               261           262           263           264           265 
      1  -0.125743D+01 -0.109196D+01  0.169739D+01  0.891102D-01  0.154278D+01
      2   0.122740D+01  0.169739D+01 -0.231861D+01  0.213641D-01 -0.309256D+01
      3   0.400978D+01  0.891102D-01  0.213641D-01 -0.298949D+00  0.136755D+00
               266           267           268           269           270 
      1  -0.309256D+01  0.136755D+00 -0.754273D+00  0.145136D+01 -0.466878D+00
      2   0.100689D+02 -0.260040D+00  0.145136D+01 -0.403937D+01  0.120183D+01
      3  -0.260040D+00  0.130074D+01 -0.466878D+00  0.120183D+01 -0.302551D+00
               271           272           273           274           275 
      1  -0.398968D+00  0.103037D+00 -0.624462D+00  0.631434D+00  0.258266D+00
      2   0.103037D+00  0.651045D+00  0.160753D+00  0.258266D+00 -0.579858D+00
      3  -0.624462D+00  0.160753D+00  0.367642D+00 -0.466115D-01 -0.612138D+00
               276           277           278           279           280 
      1  -0.466115D-01 -0.215112D+01 -0.582155D+00 -0.545267D+00 -0.160299D+02
      2  -0.612138D+00 -0.582155D+00 -0.178361D+01 -0.145308D+01 -0.220030D+01
      3  -0.728264D+00 -0.545267D+00 -0.145308D+01 -0.580662D+01  0.411783D+00
               281           282           283           284           285 
      1  -0.220030D+01  0.411783D+00  0.113658D+01 -0.984469D+00  0.895781D-01
      2  -0.154337D+01 -0.611160D-01 -0.984469D+00 -0.242736D+00  0.304072D+00
      3  -0.611160D-01 -0.951195D+00  0.895781D-01  0.304072D+00  0.818636D-01
               286           287           288           289           290 
      1   0.183621D+01  0.423601D+00 -0.132084D+01 -0.674009D-01 -0.732665D+00
      2   0.423601D+00  0.640609D+00 -0.301200D+00 -0.732665D+00  0.222958D+01
      3  -0.132084D+01 -0.301200D+00 -0.315143D-01  0.512515D+00 -0.273170D+00
               291           292           293           294           295 
      1   0.512515D+00 -0.105981D+01 -0.347796D-01  0.820070D-02  0.140543D+01
      2  -0.273170D+00 -0.347796D-01 -0.733525D+01  0.169507D+01  0.393743D+00
      3   0.443569D+00  0.820070D-02  0.169507D+01 -0.128031D+01  0.264973D-02
               296           297 
      1   0.393743D+00  0.264973D-02
      2   0.305869D+01 -0.157423D+01
      3  -0.157423D+01  0.824073D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.326697D+01  0.221638D+01  0.215738D+01  0.978317D+01  0.156562D+01
      2   0.624698D+01 -0.142899D+01  0.376935D+01 -0.218021D+01 -0.870743D+00
      3   0.166770D+02 -0.225273D+01 -0.871254D+00  0.107555D+02 -0.514048D+00
                 6             7             8             9            10 
      1  -0.219188D+01 -0.120538D+01  0.249607D+01  0.292092D+00 -0.504943D+01
      2  -0.389462D+00 -0.863669D+01  0.452934D+00 -0.845442D+00 -0.173949D+02
      3  -0.524996D+01 -0.154553D+02 -0.199558D+01  0.993178D+00 -0.333873D+02
                11            12            13            14            15 
      1  -0.734927D+00  0.164409D+01  0.184786D+01  0.596682D+00 -0.103456D+02
      2   0.444530D-01 -0.343167D+01  0.240551D+01 -0.216251D+01 -0.119273D+00
      3   0.829027D-01  0.659625D+00  0.109047D+02 -0.168239D+01  0.289959D+00
                16            17            18            19            20 
      1  -0.337620D+01 -0.262905D+01 -0.832386D+00 -0.385006D+01 -0.984414D+00
      2  -0.273472D+02 -0.306840D+01 -0.310761D+01 -0.741768D+01 -0.128033D-02
      3   0.350494D+01  0.499744D+00 -0.278639D+00 -0.157516D+02  0.742984D+00
                21            22            23            24            25 
      1  -0.118885D+01 -0.607230D+01  0.290629D+01  0.735929D+00 -0.435434D+00
      2   0.799969D+01 -0.272241D+01  0.957675D+00 -0.109353D+01 -0.107201D+02
      3   0.138500D-01  0.106023D+02  0.145995D+01  0.359067D+01 -0.139805D+02
                26            27            28            29            30 
      1   0.335287D+01  0.882999D+00  0.237517D+01 -0.254148D+00 -0.281417D+01
      2   0.646722D+00  0.207316D+01  0.134502D+02  0.100069D+01 -0.463351D+01
      3   0.480002D+01 -0.177914D+01  0.303957D+02 -0.883398D+00 -0.929750D+00
                31            32            33            34            35 
      1  -0.376044D+01  0.129929D+01 -0.104155D+02 -0.480479D+01 -0.172503D+01
      2   0.101940D+00  0.314335D+01  0.126503D+01 -0.302702D+02  0.175089D+01
      3   0.681255D+01  0.424038D+01 -0.606411D+00 -0.709735D+00 -0.434069D+01
                36            37            38            39            40 
      1  -0.859028D-01 -0.150248D+01  0.872949D+00 -0.127495D+01  0.752570D+01
      2  -0.450183D+00 -0.122823D+02 -0.116065D+01  0.564026D+01 -0.601007D+00
      3   0.352490D+01 -0.123223D+02 -0.324739D+00  0.141766D+01  0.139255D+02
                41            42            43            44            45 
      1  -0.259172D+01 -0.302541D+01  0.369831D+01  0.135158D+01 -0.116588D+01
      2  -0.207639D+01  0.129733D+00  0.700646D+01 -0.785642D-01 -0.392781D+01
      3   0.379066D+00 -0.369878D+01  0.162079D+02 -0.238186D+01 -0.177019D+01
                46            47            48            49            50 
      1   0.341654D+01 -0.133669D+01  0.167396D+01 -0.737487D+01 -0.198614D+01
      2   0.137606D+02  0.318339D+00  0.104906D+02 -0.136538D+01  0.108786D+01
      3   0.171016D+02 -0.127712D+01  0.105537D+01  0.127236D+02 -0.108100D+01
                51            52            53            54            55 
      1  -0.223406D+01  0.149350D+01  0.245869D+01 -0.242137D+00  0.403798D+01
      2  -0.199341D+01  0.477513D+01 -0.137966D+00  0.587901D+01  0.353229D+01
      3   0.350066D+01  0.135428D+02  0.822475D+00  0.117414D+01  0.184539D+02
                56            57            58            59            60 
      1   0.187357D+01 -0.109934D+01  0.555548D+01  0.420881D+01  0.184721D+01
      2   0.143212D+00 -0.347073D+01  0.152077D+01  0.601225D+01  0.141304D+02
      3   0.732128D+01 -0.965856D+00  0.398573D+02  0.731192D+01 -0.516636D+01
                61            62            63            64            65 
      1  -0.177146D+01  0.670634D+01 -0.164977D+01 -0.495611D+01 -0.115436D+01
      2  -0.243782D+02  0.149932D+02 -0.613286D+01  0.830004D+01 -0.292943D+01
      3  -0.871001D+01 -0.655077D+01 -0.961664D+01 -0.183111D+02 -0.187059D+02
                66            67            68            69            70 
      1  -0.154241D+01 -0.296249D+01 -0.954154D+00 -0.639817D-01  0.193125D+01
      2   0.147795D+02 -0.821713D+01 -0.618295D+01 -0.176206D+02  0.123518D+02
      3   0.512160D+01 -0.320526D+02 -0.585222D+01  0.568393D+01  0.104939D+02
                71            72            73            74            75 
      1   0.706217D+01 -0.875666D+00  0.163139D+01  0.211405D+01 -0.367336D+00
      2  -0.167687D+02  0.169185D+02 -0.872482D+01  0.515178D+01 -0.136731D+02
      3   0.830012D+01  0.162023D+02  0.866738D+01  0.171656D+02 -0.669665D+01
                76            77            78            79            80 
      1   0.398548D+01  0.853162D+00 -0.513288D+01 -0.248269D-01 -0.161693D+01
      2   0.637560D+01  0.138117D+02  0.225618D+02 -0.287006D+02  0.222436D+02
      3   0.376142D+02  0.109232D+02 -0.179717D+02 -0.691291D+01 -0.158258D+02
                81            82            83            84            85 
      1  -0.243489D+01  0.332841D+01 -0.445823D+01  0.469935D+01 -0.647016D+01
      2  -0.124005D+01 -0.146607D+02  0.659184D+01 -0.232003D+01  0.864892D+01
      3  -0.215308D+02  0.227385D+02  0.470141D+01 -0.780907D+01  0.136302D+02
                86            87            88            89            90 
      1  -0.993180D+01 -0.684459D+01  0.621203D+01 -0.515952D+00  0.896844D+01
      2   0.999944D+01  0.944047D+01 -0.880181D+01  0.843642D+01 -0.103884D+02
      3   0.852048D+01 -0.535212D+01 -0.906564D+01 -0.963646D+01 -0.127227D+02
                91            92            93            94            95 
      1   0.165722D+00  0.873804D+00  0.200748D+01  0.205330D+01 -0.855139D+00
      2  -0.575049D+01 -0.333388D+01  0.110385D+01  0.188700D+01 -0.943285D+01
      3  -0.279793D+01  0.278326D+01  0.282340D+01  0.380746D+02 -0.138382D+02
                96            97            98            99           100 
      1  -0.332082D+01  0.253028D+01  0.501571D+01 -0.199636D+01 -0.835264D+00
      2   0.544367D+00 -0.172413D+02  0.199443D+01  0.179254D+02  0.583805D+01
      3   0.559715D+01 -0.289944D+01  0.108819D+02 -0.252988D+01  0.126286D+02
               101           102           103           104           105 
      1  -0.645422D+01 -0.376377D+01 -0.123665D+01 -0.953001D-01  0.137733D+01
      2   0.523072D+00  0.359946D+01 -0.242372D+01  0.911049D+01  0.658976D+01
      3  -0.153029D+02 -0.218941D+01 -0.968473D+01  0.653490D+01 -0.413507D+01
               106           107           108           109           110 
      1  -0.721703D+01 -0.204933D+01 -0.452387D+01  0.423867D+01  0.379390D+01
      2  -0.783000D+01  0.707058D+01 -0.248075D+02  0.813855D+01 -0.117910D+01
      3  -0.102877D+02  0.948875D+01 -0.481863D+01 -0.318381D+01 -0.397399D+01
               111           112           113           114           115 
      1   0.303281D+01  0.744801D+00  0.370738D+00 -0.352778D+01  0.417159D+01
      2   0.895159D+01  0.576555D+00  0.546987D+01 -0.527201D+01  0.898233D+01
      3  -0.668690D+00 -0.148932D+01  0.258932D+01 -0.606716D+01  0.154298D+02
               116           117           118           119           120 
      1   0.904690D+01  0.112441D+02 -0.366712D+01  0.230500D+01 -0.388871D+00
      2  -0.502312D+01  0.369732D+02 -0.574954D+01  0.134965D+01  0.113089D+01
      3  -0.198151D+02  0.515576D+01 -0.605070D+00  0.788042D+01  0.171839D+01
               121           122           123           124           125 
      1  -0.343161D+00 -0.397582D+01 -0.370863D+01 -0.227283D+01  0.666716D+01
      2  -0.114807D+01 -0.108102D+02 -0.197834D+01 -0.160105D+01 -0.564759D+01
      3   0.685617D+01 -0.107852D+02  0.959494D+01 -0.536922D+01  0.175136D+02
               126           127           128           129           130 
      1  -0.811393D+01  0.222040D+01  0.195427D+01  0.201921D+01 -0.961519D+00
      2  -0.102298D+02 -0.593313D+01 -0.127513D+00 -0.104891D+01  0.181337D+01
      3   0.658428D+01 -0.313057D+01 -0.141023D+01 -0.190550D+01  0.281267D+01
               131           132           133           134           135 
      1  -0.717335D-01 -0.198885D+01  0.271218D+01  0.281945D+01  0.486772D+01
      2  -0.128881D+00 -0.139945D+00 -0.406620D+01 -0.925866D-01  0.134220D+01
      3   0.125729D+00  0.322779D+00 -0.286056D+01 -0.189680D+01 -0.206330D+01
               136           137           138           139           140 
      1   0.177188D+01 -0.159487D+01 -0.199733D+01  0.491769D+00  0.981245D-01
      2   0.480474D+01  0.275158D-01 -0.151393D+01 -0.462852D+00 -0.210783D+00
      3   0.144750D+01 -0.615828D+00 -0.162751D+01  0.977739D+00  0.195681D-01
               141           142           143           144           145 
      1  -0.190139D+01 -0.197790D+01  0.372489D+01  0.535329D+01 -0.228067D+01
      2   0.320284D+00 -0.469246D+01 -0.202339D+00 -0.913363D+00 -0.744954D+01
      3  -0.620607D-01 -0.137805D+01  0.159850D+01  0.191978D+01  0.235974D+01
               146           147           148           149           150 
      1   0.257408D+01 -0.147094D+01  0.306139D+00 -0.376244D+00 -0.113713D+01
      2   0.967646D+00 -0.131171D+01  0.620682D+00  0.361224D-01  0.285427D+00
      3  -0.141641D+01  0.139597D+01  0.155208D+00  0.592769D+00 -0.264204D+00
               151           152           153           154           155 
      1  -0.215364D+01  0.346865D+01 -0.347664D+01 -0.208326D+01 -0.154744D+01
      2  -0.434078D+01  0.329610D+00  0.115549D+01  0.487419D+01  0.448910D+00
      3   0.157405D+01 -0.225089D+01  0.200517D+01 -0.136446D+01 -0.793993D+00
               156           157           158           159           160 
      1   0.134300D+01  0.353096D+00 -0.121115D+00 -0.176596D+01  0.278542D+01
      2  -0.104834D+01 -0.159819D+00 -0.351940D+00  0.640390D-02 -0.440050D+01
      3   0.126723D+01  0.150152D+01  0.204490D+00  0.107338D-01  0.203222D+01
               161           162           163           164           165 
      1   0.371812D+01 -0.540361D+01 -0.963696D+00 -0.622285D-01  0.134338D+01
      2  -0.343702D+00 -0.235062D+01 -0.530775D+01  0.161565D+01  0.421762D+01
      3   0.186239D+01 -0.184689D+01 -0.431896D+00 -0.444491D+01 -0.107955D+00
               166           167           168           169           170 
      1   0.465410D+00 -0.123298D+01 -0.348627D+01  0.272801D+01 -0.100956D+01
      2   0.270053D+01 -0.842578D+01 -0.735569D+01  0.665782D+01 -0.995829D+01
      3  -0.397754D+01  0.106418D+02  0.548982D+01  0.429198D+01  0.956374D+01
               171           172           173           174           175 
      1  -0.385294D+01  0.166492D+01 -0.252659D+00  0.189761D+01 -0.142047D+01
      2  -0.970631D+01  0.642667D+01 -0.260249D+01  0.619930D+01 -0.181091D+01
      3   0.539889D+01 -0.259240D+00 -0.510049D+01  0.685935D+00 -0.268298D+01
               176           177           178           179           180 
      1   0.851001D+00 -0.309345D+01  0.192128D+01 -0.497044D+00  0.509174D+01
      2   0.334930D+01 -0.473879D+01  0.294784D+01 -0.761979D+01  0.130441D+02
      3   0.428210D+01 -0.232479D+01 -0.268524D+01 -0.617340D+01  0.420599D+01
               181           182           183           184           185 
      1   0.286838D+01  0.155980D+01  0.139288D+01  0.663152D+00 -0.565040D+00
      2  -0.108371D+02  0.155305D+01 -0.666398D+01  0.118334D+01 -0.512251D+01
      3  -0.224044D+01  0.374749D+01 -0.286997D+01  0.607545D+01 -0.561148D+01
               186           187           188           189           190 
      1  -0.202109D+01  0.159267D+01  0.170199D+01  0.308898D+01  0.128187D+01
      2   0.768911D+01 -0.103246D+02  0.709627D+01 -0.219244D+02 -0.507837D+01
      3   0.455816D+01 -0.336847D+01  0.509489D+01 -0.867776D+01  0.514293D+01
               191           192           193           194           195 
      1  -0.970208D+00 -0.324283D+00 -0.150230D+01  0.394637D+01  0.109080D+01
      2   0.159840D+01  0.573311D+01  0.406810D+01 -0.124588D+02 -0.159821D+02
      3  -0.508359D+01 -0.267401D+01 -0.814298D+01  0.163944D+02  0.135861D+02
               196           197           198           199           200 
      1  -0.114986D+01  0.473358D+01  0.223070D+01  0.125725D+00 -0.339758D-01
      2   0.997754D+01 -0.142137D+02 -0.241521D+02  0.126423D+02 -0.402744D+01
      3  -0.457752D+01  0.148457D+02  0.145669D+02  0.501827D+01 -0.722373D+01
               201           202           203           204           205 
      1   0.524515D+00 -0.741017D+00 -0.565736D-01 -0.116688D+01 -0.626868D-01
      2   0.120260D+02 -0.509051D+01  0.475773D+01 -0.930905D+01  0.148824D+02
      3   0.361707D+01 -0.786466D+01  0.658721D+01 -0.359686D+01  0.572340D+01
               206           207           208           209           210 
      1   0.152753D+01  0.728846D+00 -0.194983D+01 -0.195414D+01 -0.528874D+00
      2  -0.846168D+01  0.230272D+02 -0.178168D+01 -0.225641D+01  0.634950D+01
      3  -0.800687D+01  0.789495D+01 -0.130096D+02 -0.142185D+02  0.423069D+01
               211           212           213           214           215 
      1  -0.242129D+01 -0.442656D+01 -0.134132D+01 -0.561711D-01  0.178259D+01
      2  -0.445606D+01 -0.579297D+01  0.655892D+01  0.754729D+01  0.316489D+01
      3  -0.202320D+02 -0.303987D+02  0.832059D+01  0.502250D+01  0.777707D+01
               216           217           218           219           220 
      1   0.354029D+00 -0.362065D+01  0.176649D+01 -0.426337D+01  0.149445D+01
      2  -0.511126D+01  0.506663D+01  0.258994D+00  0.774054D+01 -0.559808D+00
      3  -0.356305D+01  0.422247D+00 -0.456338D+01  0.221826D+01 -0.193029D+01
               221           222           223           224           225 
      1  -0.224831D+01  0.285317D+01 -0.424607D+01  0.449160D+01 -0.120363D+02
      2   0.165822D+01 -0.664680D+01  0.260389D+01 -0.654328D+00  0.208148D+02
      3   0.255982D+01 -0.266549D+01  0.311144D+01 -0.500096D+01  0.325312D+01
               226           227           228           229           230 
      1  -0.371169D+01 -0.107332D+01  0.223663D+01 -0.484300D+00  0.388546D+00
      2   0.147388D+02 -0.293726D+01 -0.336595D+01 -0.168700D+01  0.164293D+01
      3  -0.219545D+02  0.582513D+01  0.516264D+01  0.617127D+01 -0.510602D+01
               231           232           233           234           235 
      1  -0.423497D+00  0.263087D+01  0.151479D+01 -0.154768D+01  0.181524D+01
      2  -0.108085D+00 -0.595843D+01  0.410783D+00  0.327583D+01 -0.116038D+01
      3  -0.118078D+01  0.398645D+01 -0.243580D-01 -0.199888D+01 -0.626468D+01
               236           237           238           239           240 
      1   0.283813D+01 -0.283308D+01  0.451498D+01  0.757571D+01 -0.432322D+01
      2  -0.153898D+01  0.390906D+01 -0.310192D+01 -0.364285D+01  0.391397D+01
      3  -0.947800D+01 -0.361633D+00 -0.605156D+01 -0.267980D+02 -0.172859D-01
               241           242           243           244           245 
      1  -0.218627D+01 -0.148931D+01  0.137889D+01  0.417110D+00 -0.577983D+00
      2   0.267176D+01  0.276710D+01 -0.110685D+01 -0.665501D+01  0.571207D+00
      3   0.163082D+01  0.590031D+01 -0.124590D+01 -0.109508D+01 -0.223055D+01
               246           247           248           249           250 
      1  -0.788856D+00 -0.368321D+00  0.625087D+00 -0.332715D+00 -0.122990D+01
      2   0.398893D+01  0.167137D+00 -0.153788D+01 -0.708526D-01  0.144345D+01
      3  -0.108390D+01 -0.131624D+01  0.102244D+01  0.219034D+01 -0.101522D+01
               251           252           253           254           255 
      1   0.332668D+01  0.259145D+01 -0.146676D+01  0.583275D+00 -0.291837D+01
      2  -0.206291D+00 -0.203981D+02  0.950287D+01  0.113441D+01  0.711299D+01
      3   0.329310D+01  0.167773D+01 -0.201026D+02 -0.166244D+02  0.198896D+01
               256           257           258           259           260 
      1  -0.140250D+01 -0.591927D+01  0.606628D+00 -0.649190D+00  0.579675D+01
      2   0.460205D+01  0.107107D+02 -0.348794D+01  0.490172D+01 -0.545710D+01
      3  -0.895331D+01  0.143650D+02 -0.957429D+01  0.991687D+00 -0.124209D+02
               261           262           263           264           265 
      1   0.847118D+01  0.796019D+00 -0.102175D+01  0.108925D+01 -0.242336D+01
      2  -0.190390D+02  0.915097D-01 -0.622717D+00  0.920806D+00 -0.896773D+00
      3   0.623967D+01  0.340926D+01 -0.535701D+01 -0.700098D+00 -0.517811D+01
               266           267           268           269           270 
      1   0.705598D+01 -0.424361D+01  0.108104D+01 -0.274717D+01  0.241389D+01
      2   0.245617D+01 -0.467408D+01  0.106332D+01 -0.430587D+01  0.153670D+01
      3   0.309297D+02 -0.491247D+00  0.322493D+01 -0.131196D+02  0.366328D+01
               271           272           273           274           275 
      1  -0.183327D+01 -0.512582D+00  0.924343D+00 -0.318083D+00 -0.164979D+01
      2   0.476257D+01 -0.303052D+00 -0.207243D+01  0.104209D+01  0.250376D+01
      3   0.410088D-01  0.157466D+01  0.143333D+01  0.110114D+01 -0.226405D+01
               276           277           278           279           280 
      1  -0.175122D+01  0.114325D+00  0.775814D+00 -0.118079D+02  0.811176D+00
      2   0.268066D+01 -0.232861D+01  0.520959D+01  0.238833D+02 -0.334375D+01
      3  -0.201375D+01  0.181357D+01 -0.549421D+01 -0.481482D+01  0.169376D+02
               281           282           283           284           285 
      1   0.453172D-01 -0.226872D+01  0.385809D+00  0.726616D+00 -0.422678D+00
      2   0.273384D+00  0.726938D+01 -0.833614D+00 -0.136590D+01  0.213086D+00
      3  -0.621756D+01 -0.120132D+01 -0.419573D+01  0.658651D+00  0.117154D+01
               286           287           288           289           290 
      1  -0.225754D+01  0.266488D+00 -0.342022D+00  0.153671D+01 -0.392873D+00
      2   0.428607D+01  0.909532D+00  0.527709D+00 -0.238197D+01  0.846286D+00
      3  -0.128686D+01  0.207906D+01  0.780382D+00 -0.461304D+01  0.835777D+01
               291           292           293           294           295 
      1   0.184763D+01 -0.175094D+00  0.402038D+01 -0.504202D+01  0.858327D+00
      2  -0.163670D+01  0.359102D-02 -0.613369D+01  0.465056D+01 -0.202931D+01
      3  -0.212116D+01  0.476982D+01 -0.270310D+02  0.680160D+01 -0.202001D+01
               296           297 
      1  -0.221060D+01  0.240331D+01
      2   0.538270D+01 -0.281552D+01
      3   0.106130D+02 -0.598317D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.604655D+01  0.169250D+01 -0.244155D+02  0.846577D+01 -0.127066D+02
      2   0.550511D+01 -0.243292D+01  0.727179D+01 -0.761279D+01  0.128629D+02
      3   0.541446D+00  0.740417D+00  0.171437D+02 -0.852978D+00 -0.156296D+00
      4   0.529227D+01  0.385809D+01  0.334696D+01  0.110248D+02 -0.301469D+01
      5  -0.106222D+02  0.328173D+01 -0.709065D+01  0.423303D+01  0.670443D+01
      6   0.251070D+01  0.424731D+01 -0.286318D+01  0.468339D+01 -0.973061D+01
                 6             7             8             9            10 
      1   0.102875D+02  0.378941D+02  0.330844D+01  0.712278D+01  0.549252D+02
      2  -0.114890D+02 -0.365301D+01 -0.558334D+01  0.342830D+01 -0.235817D+02
      3   0.120155D+01 -0.342411D+02  0.227490D+01 -0.105511D+02 -0.313435D+02
      4   0.608955D+01 -0.260380D+01  0.449938D+01  0.303615D+01 -0.123862D+02
      5   0.216054D+01 -0.460369D+00  0.210323D+01 -0.104077D+02 -0.123439D+02
      6   0.135755D+02  0.544749D+01  0.364068D+01  0.296649D+01  0.717237D+01
                11            12            13            14            15 
      1   0.683509D+01 -0.547369D+01  0.766052D+01  0.154701D+01  0.899167D+00
      2  -0.514729D+01  0.144259D+01 -0.127362D+02  0.903884D+01  0.124620D+01
      3  -0.168780D+01  0.403111D+01  0.507569D+01 -0.105858D+02 -0.214536D+01
      4  -0.600010D+00  0.408840D+00  0.222029D+02 -0.537887D+01 -0.106233D+01
      5  -0.552847D+00  0.106010D+02  0.466758D+01 -0.345124D+00 -0.258162D+01
      6   0.150784D+01 -0.751673D+01  0.887566D+00  0.181617D+01  0.550426D+01
                16            17            18            19            20 
      1  -0.933367D+01 -0.143647D+01 -0.193234D+02  0.443475D+01 -0.497871D+01
      2  -0.906407D+00  0.283433D+01 -0.752797D+00 -0.210811D+00  0.397386D+01
      3   0.102401D+02 -0.139786D+01  0.200762D+02 -0.422394D+01  0.100485D+01
      4   0.541759D+00 -0.135996D+01 -0.356803D+01 -0.413458D+01 -0.101162D+01
      5  -0.149099D+02 -0.332121D+01  0.469697D+00  0.948394D+01 -0.180946D+00
      6  -0.156854D+01 -0.188655D+01 -0.150441D+01 -0.161432D+01 -0.542555D+01
                21            22            23            24            25 
      1   0.238102D+02 -0.121716D+01 -0.109575D+02 -0.144789D+01 -0.243171D+02
      2  -0.108157D+02  0.240117D+01  0.774673D+01 -0.598148D+01 -0.279511D+01
      3  -0.129946D+02 -0.118402D+01  0.321080D+01  0.742937D+01  0.271122D+02
      4   0.107540D+01  0.146058D+02  0.339407D+01 -0.549613D+01 -0.401819D+01
      5  -0.122200D+02 -0.446551D+01 -0.480220D+01  0.205186D+01  0.482339D+01
      6   0.735177D+01 -0.431882D+01 -0.566800D+01  0.151840D+02 -0.274123D+01
                26            27            28            29            30 
      1   0.166122D+01  0.990928D+01  0.247798D+02 -0.122533D+01  0.318614D+01
      2  -0.331016D+01  0.594850D+01 -0.344026D+01  0.464626D+01  0.187736D+01
      3   0.164895D+01 -0.158578D+02 -0.213396D+02 -0.342093D+01 -0.506351D+01
      4  -0.741319D+01 -0.682858D+00  0.236643D+02  0.235085D+01  0.347093D+00
      5  -0.648440D+00  0.105804D+02  0.184473D+01  0.179073D+00  0.853796D+01
      6   0.616999D+01  0.694803D+00 -0.722104D+00 -0.222118D+01  0.379875D+01
                31            32            33            34            35 
      1  -0.325844D+01  0.283628D+01  0.135816D+01 -0.248896D+01  0.372070D+01
      2   0.540648D+01  0.648809D+01 -0.114138D+01 -0.111453D+01  0.422712D-01
      3  -0.214803D+01 -0.932438D+01 -0.216782D+00  0.360349D+01 -0.376297D+01
      4   0.213624D+02  0.192620D+01  0.170888D+01  0.504207D+00  0.620244D+01
      5   0.414687D+00  0.127510D+01 -0.605746D+00 -0.197109D+02 -0.807065D-01
      6  -0.354708D+01  0.982782D+00  0.325403D+01  0.162121D+01 -0.259037D+01
                36            37            38            39            40 
      1  -0.230606D+02  0.127221D+01 -0.851627D+00 -0.250414D+02 -0.325948D+01
      2   0.494093D+00 -0.124045D+01  0.177513D+01  0.952874D+01  0.137780D+01
      3   0.225665D+02 -0.317511D-01 -0.923506D+00  0.155127D+02  0.188168D+01
      4  -0.242315D+01 -0.199285D+01  0.115319D+01  0.647745D+00  0.546185D+01
      5  -0.105807D+01 -0.202341D+02  0.147062D+01 -0.243016D+01  0.215999D+01
      6  -0.346558D+01  0.465803D+01  0.468700D+01  0.453225D+01  0.677083D+01
                41            42            43            44            45 
      1  -0.840175D+01 -0.160250D+01  0.269964D+02 -0.459202D+01  0.117102D+02
      2   0.881718D+01  0.270471D+01  0.260776D+01  0.188494D+01  0.892019D+00
      3  -0.415429D+00 -0.110221D+01 -0.296042D+02  0.270708D+01 -0.126022D+02
      4   0.216118D+01  0.715005D+01  0.610758D+01  0.605912D+01  0.227785D+01
      5   0.447753D+01  0.238362D+01  0.131622D+02  0.792720D+00 -0.939422D+01
      6   0.291212D+01  0.903795D+01  0.282052D+00  0.379044D+01  0.494950D+01
                46            47            48            49            50 
      1  -0.307666D+01 -0.258937D+01  0.217575D+02  0.590816D+01 -0.115461D+02
      2   0.706239D+01  0.285622D+00 -0.812468D+01 -0.298253D+01  0.103055D+02
      3  -0.398573D+01  0.230374D+01 -0.136328D+02 -0.292562D+01  0.124064D+01
      4   0.334578D+01  0.153677D+01 -0.207957D+01  0.295411D+01 -0.238285D+00
      5   0.222253D+02 -0.164470D+01 -0.704035D+01 -0.660845D+01 -0.385343D+01
      6  -0.424628D+01 -0.269346D+01 -0.329962D-01 -0.368240D+01  0.723936D+01
                51            52            53            54            55 
      1  -0.121037D+02 -0.296456D+02 -0.453130D+01  0.123272D+02 -0.422639D+02
      2   0.852717D+01  0.397148D+01  0.437494D+01  0.633212D+01  0.191865D+02
      3   0.357653D+01  0.256741D+02  0.156355D+00 -0.186593D+02  0.230773D+02
      4  -0.526173D+01  0.420949D+01 -0.355603D+01 -0.347896D+00  0.106113D+01
      5  -0.265700D+00  0.107073D+02 -0.157467D+00  0.965342D+01  0.356572D+01
      6   0.131287D+02 -0.205695D+01  0.509719D+01  0.214565D+01 -0.621273D+01
                56            57            58            59            60 
      1  -0.935512D+01 -0.162590D+01 -0.515050D+02 -0.286199D+02  0.923756D+01
      2   0.568903D+01  0.126920D+01  0.282233D+02  0.122653D+02 -0.629057D+01
      3   0.366609D+01  0.356706D+00  0.232817D+02  0.163546D+02 -0.294699D+01
      4  -0.201261D+02  0.166321D+01 -0.505907D+02  0.812463D+01  0.113429D+02
      5   0.257554D+01 -0.154583D+02  0.737964D+01  0.119982D+02  0.230648D+02
      6  -0.100064D+01  0.547606D+01  0.349723D+01 -0.706263D+01 -0.103308D+02
                61            62            63            64            65 
      1   0.993664D+01  0.792221D+01 -0.120742D+02 -0.347140D+02  0.106561D+02
      2  -0.116004D+01 -0.418265D+01  0.324960D+01  0.245256D+02 -0.502567D+01
      3  -0.877660D+01 -0.373956D+01  0.882464D+01  0.101884D+02 -0.563042D+01
      4   0.117612D+01  0.141039D+02  0.334929D+02  0.132129D+02  0.270120D+02
      5  -0.322814D+02  0.298553D+02 -0.884187D+01  0.263990D+02 -0.580978D+01
      6   0.147278D+02 -0.117093D+02 -0.108244D+01  0.615976D+01 -0.137161D+00
                66            67            68            69            70 
      1   0.290216D+02  0.572697D+02  0.445864D+02 -0.120517D+02  0.285561D+02
      2  -0.141962D+02 -0.237304D+02 -0.186367D+02  0.333332D+01 -0.141569D+02
      3  -0.148254D+02 -0.335393D+02 -0.259497D+02  0.871836D+01 -0.143992D+02
      4  -0.384682D+01  0.491714D+02  0.645160D+01 -0.143139D+02 -0.704066D+01
      5   0.163855D+02 -0.180748D+02 -0.166014D+02 -0.281327D+02  0.306296D+02
      6   0.632478D+01 -0.343758D+01 -0.137330D+01 -0.597049D+01  0.967120D+00
                71            72            73            74            75 
      1  -0.719896D+01  0.380233D+02  0.472014D+02 -0.128681D+02 -0.293777D+02
      2  -0.328644D+01 -0.188721D+02 -0.279941D+02  0.342208D+01  0.138252D+02
      3   0.104854D+02 -0.191511D+02 -0.192073D+02  0.944603D+01  0.155525D+02
      4  -0.157680D+02 -0.266328D+02 -0.185076D+02 -0.373345D+02  0.125528D+02
      5  -0.287965D+02  0.210936D+02 -0.261415D+02  0.139735D+02 -0.249819D+02
      6  -0.476261D+01  0.813921D+01  0.239054D+01  0.654648D+01 -0.953864D+00
                76            77            78            79            80 
      1  -0.283502D+02 -0.477724D+02  0.198541D+02 -0.317366D+02  0.171563D+02
      2   0.740051D+01  0.240941D+02 -0.166474D+01  0.137824D+02 -0.791529D+00
      3   0.209497D+02  0.236783D+02 -0.181893D+02  0.179541D+02 -0.163647D+02
      4  -0.622159D+02 -0.246513D+02  0.327942D+02  0.154804D+02  0.283597D+02
      5   0.203649D+02  0.360740D+02  0.387891D+02 -0.426379D+02  0.394922D+02
      6   0.113536D+02  0.464513D+01 -0.676280D+01  0.271334D+00 -0.596225D+01
                81            82            83            84            85 
      1  -0.391387D+02  0.503848D+02 -0.102883D+02 -0.137592D+02 -0.155277D+02
      2   0.241669D+02 -0.336029D+02 -0.699066D+01  0.160281D+02 -0.999496D+01
      3   0.149719D+02 -0.167819D+02  0.172790D+02 -0.226885D+01  0.255227D+02
      4   0.379647D+02 -0.614901D+01 -0.290030D+02  0.160806D+01 -0.373730D+02
      5   0.426782D+00 -0.107759D+02  0.427180D+01 -0.168252D+02  0.806871D+01
      6  -0.622979D+01 -0.585510D+01 -0.178046D+00 -0.528917D+01  0.922401D+00
                86            87            88            89            90 
      1  -0.234031D+02 -0.121777D+01 -0.138738D+02 -0.183386D+01 -0.230154D+02
      2  -0.790209D+01 -0.782836D+00  0.175542D+02  0.479896D+01  0.271591D+02
      3   0.313052D+02  0.200061D+01 -0.368044D+01 -0.296510D+01 -0.414363D+01
      4  -0.384834D+02  0.146990D+02  0.401502D+01  0.250619D+02  0.144395D+02
      5   0.116820D+02  0.242313D+02 -0.244087D+02  0.211339D+02 -0.284271D+02
      6   0.574178D+01  0.100240D+02 -0.335963D+01  0.862351D+01 -0.293707D+01
                91            92            93            94            95 
      1   0.890740D+01 -0.360784D+01  0.483206D+00 -0.123910D+02 -0.218192D+02
      2  -0.110413D+02 -0.348292D+01 -0.298495D+01  0.261100D+01  0.407312D+01
      3   0.213390D+01  0.709076D+01  0.250175D+01  0.977997D+01  0.177461D+02
      4  -0.213898D+02 -0.200656D+02 -0.562439D+01 -0.535306D+02  0.961479D+01
      5  -0.764649D+00 -0.481447D+01 -0.662137D+01 -0.355377D+01 -0.109781D+02
      6  -0.221417D+01 -0.837087D+00 -0.320886D+01 -0.461739D+01 -0.249288D+01
                96            97            98            99           100 
      1  -0.145671D+01 -0.120658D+02 -0.375876D+01 -0.973794D+00 -0.522225D+01
      2   0.126191D+01 -0.540986D+01  0.339045D+00  0.117270D+02  0.374600D+01
      3   0.194797D+00  0.174756D+02  0.341971D+01 -0.107532D+02  0.147625D+01
      4  -0.110264D+02 -0.104332D+02 -0.240318D+02  0.513049D-01  0.967546D+01
      5   0.229290D+00 -0.102998D+02  0.134463D+01  0.382980D+02 -0.201246D+02
      6   0.510998D+00 -0.221919D+01  0.224296D+01  0.361610D+01  0.562262D+01
               101           102           103           104           105 
      1   0.399843D+01 -0.921430D+01  0.139781D+02  0.758041D+01  0.545552D+01
      2  -0.141436D+01  0.921652D+01 -0.111920D+02 -0.145204D+01 -0.918800D+01
      3  -0.258408D+01 -0.221953D-02 -0.278606D+01 -0.612838D+01  0.373248D+01
      4   0.103724D+01  0.604188D+01  0.715789D+01 -0.212827D+02  0.147673D+02
      5   0.554219D+01 -0.756317D+01 -0.115531D-01  0.145667D+02  0.143516D+02
      6  -0.466756D+01  0.581745D+01  0.563554D+01 -0.137066D+02 -0.905802D+01
               106           107           108           109           110 
      1  -0.308398D+02  0.736511D+01 -0.962127D+01  0.418736D+02 -0.627782D+01
      2   0.199574D+02 -0.477129D+01  0.118763D+02 -0.264623D+02  0.174901D+01
      3   0.108824D+02 -0.259382D+01 -0.225505D+01 -0.154113D+02  0.452882D+01
      4   0.163254D+02 -0.599074D+01  0.157232D+02 -0.152987D+02  0.158140D+02
      5  -0.289917D+02  0.140672D+02 -0.417112D+02  0.376413D+02 -0.465075D+01
      6   0.114559D+02 -0.162893D+02  0.137482D+02 -0.101803D+02  0.326315D+01
               111           112           113           114           115 
      1   0.269733D+02 -0.462812D+01  0.227486D+01  0.110213D+01  0.473249D+02
      2  -0.194366D+02 -0.251399D+00  0.107804D+01 -0.151940D+00 -0.282463D+02
      3  -0.753672D+01  0.487952D+01 -0.335290D+01 -0.950187D+00 -0.190786D+02
      4  -0.867035D+01  0.157301D+02 -0.489125D+01  0.125407D+02 -0.226527D+02
      5   0.271880D+02 -0.653590D+01  0.125444D+02 -0.103351D+02  0.484245D+02
      6  -0.612616D+01  0.487727D+01 -0.629375D+01  0.133045D+02 -0.125179D+02
               116           117           118           119           120 
      1  -0.320132D+01  0.106735D+02  0.179369D+01 -0.132658D+02 -0.982914D+01
      2  -0.262932D+01 -0.311878D+02 -0.157212D+01  0.161518D+02  0.431661D+01
      3   0.583065D+01  0.205143D+02 -0.221570D+00 -0.288599D+01  0.551253D+01
      4   0.304460D+02 -0.141902D+02 -0.213730D+01 -0.549314D+01  0.693856D+01
      5  -0.130711D+02  0.755340D+02 -0.869825D+01  0.219346D+01  0.465479D+01
      6   0.153419D+02 -0.280166D+02  0.486681D+01  0.858703D-01 -0.209935D+00
               121           122           123           124           125 
      1  -0.111485D+02 -0.767284D+01 -0.571830D+01 -0.132289D+02 -0.700684D+01
      2   0.155193D+02 -0.740679D+01  0.116333D+02 -0.179868D+00  0.217982D+02
      3  -0.437081D+01  0.150796D+02 -0.591495D+01  0.134088D+02 -0.147913D+02
      4  -0.547037D+01  0.355720D+02 -0.205681D+02  0.209596D+02 -0.385447D+02
      5   0.780782D+01 -0.207247D+02 -0.682875D+01  0.115166D+02 -0.150212D+02
      6  -0.551367D+01  0.205285D+02  0.108363D+02 -0.504013D+01  0.168872D+02
               126           127           128           129           130 
      1  -0.472786D+01  0.599352D+00  0.164874D+01 -0.356399D+01 -0.855773D+00
      2  -0.102524D+01 -0.652880D+01 -0.624355D+00 -0.615543D+01  0.149953D+01
      3   0.575310D+01  0.592944D+01 -0.102438D+01  0.971942D+01 -0.643755D+00
      4  -0.128594D+02 -0.575310D+01  0.419729D+01 -0.528621D+01  0.104046D+01
      5  -0.225267D+02  0.174369D+02 -0.302390D+01  0.175768D+02 -0.264468D+01
      6   0.173375D+02 -0.643544D+01  0.374977D+01 -0.699621D+01  0.188643D+01
               131           132           133           134           135 
      1  -0.168665D+01  0.161529D+01 -0.564120D+01  0.453510D+01 -0.212029D+02
      2  -0.312737D+00  0.840790D+00 -0.751044D+01 -0.617088D+00 -0.121274D+02
      3   0.199939D+01 -0.245608D+01  0.131516D+02 -0.391801D+01  0.333303D+02
      4  -0.151701D+01  0.244735D+01 -0.461024D+01  0.404931D+01 -0.667043D+01
      5   0.252841D+01 -0.346437D+01  0.179760D+02 -0.376983D+01  0.265965D+02
      6  -0.137134D+01  0.357213D+01 -0.725770D+01  0.751579D+01 -0.147685D+02
               136           137           138           139           140 
      1  -0.286671D+01 -0.159044D+00  0.589788D+01 -0.688180D+00 -0.169100D+01
      2  -0.560413D+01  0.552934D-01  0.613986D+01  0.989850D-01 -0.429795D+00
      3   0.847084D+01  0.103751D+00 -0.120377D+02  0.589195D+00  0.212080D+01
      4   0.284442D+01  0.203782D+01 -0.263957D+01  0.475381D+00 -0.160780D+00
      5  -0.116806D+02 -0.682090D+00  0.149296D+02 -0.498523D-01 -0.150605D+01
      6  -0.283546D+01 -0.193873D+01  0.316207D+01 -0.556491D+00 -0.676464D+00
               141           142           143           144           145 
      1   0.854628D+00  0.857021D+01  0.286146D+01 -0.326831D+02  0.295713D+01
      2   0.170098D+00  0.651320D+01 -0.612508D+00 -0.166705D+02 -0.501134D+01
      3  -0.102473D+01 -0.150834D+02 -0.224895D+01  0.493536D+02  0.205421D+01
      4  -0.108680D+01 -0.300281D+01 -0.267802D+01  0.418279D+01  0.830335D+00
      5  -0.198692D+00  0.139693D+02  0.151969D+01 -0.235510D+02  0.110711D+02
      6   0.287542D+01  0.447094D+01  0.688087D+01 -0.123966D+02  0.137142D+01
               146           147           148           149           150 
      1  -0.381174D+00 -0.160324D+01 -0.840518D+00 -0.470535D+00  0.152770D+01
      2   0.624428D+00 -0.410143D+01  0.667933D+00 -0.619212D+00  0.559774D+00
      3  -0.243254D+00  0.570467D+01  0.172585D+00  0.108975D+01 -0.208747D+01
      4   0.285599D+01  0.668723D+00  0.162319D+01 -0.110127D+01  0.537008D+00
      5  -0.104464D+01  0.104824D+02 -0.952639D+00  0.202017D+01 -0.199007D+01
      6   0.142275D+01  0.147061D+01  0.147066D+00 -0.730588D+00  0.120970D+01
               151           152           153           154           155 
      1  -0.422922D+01  0.671605D+00 -0.156189D+02  0.357201D+00  0.130545D+01
      2  -0.539758D+01  0.927918D+00 -0.920782D+01 -0.530815D+01 -0.908786D+00
      3   0.962680D+01 -0.159952D+01  0.248267D+02  0.495095D+01 -0.396661D+00
      4   0.106006D+01  0.271573D+01  0.127456D+01 -0.160336D+01  0.217578D+01
      5   0.130092D+02 -0.105265D+01  0.180475D+02 -0.991141D+01  0.433842D+00
      6   0.212072D+01  0.410262D+01  0.376562D+01  0.335581D+01 -0.168095D+01
               156           157           158           159           160 
      1   0.285716D+01 -0.930924D+00 -0.164570D+01  0.133803D+01  0.413915D+01
      2   0.506378D+01  0.499333D+00 -0.389931D+00  0.145735D+00  0.676652D+01
      3  -0.792094D+01  0.431591D+00  0.203563D+01 -0.148377D+01 -0.109057D+02
      4   0.217579D+01  0.115226D+01 -0.557718D+00 -0.119260D+01  0.152963D+01
      5   0.126139D+02  0.631003D+00 -0.194569D+01 -0.511263D+00  0.133549D+02
      6  -0.417766D+01 -0.117216D+01  0.231102D+00  0.221965D+01 -0.386215D+01
               161           162           163           164           165 
      1  -0.171558D+01 -0.249231D+02  0.131455D+02 -0.541105D+01 -0.678761D+01
      2   0.104212D+01 -0.133852D+02 -0.463993D+01  0.828729D+00  0.272450D+01
      3   0.673461D+00  0.383083D+02 -0.850556D+01  0.458232D+01  0.406311D+01
      4  -0.261019D+01 -0.275096D+01 -0.130214D+02  0.153428D+02  0.666839D+01
      5  -0.310233D+00 -0.213716D+02 -0.118859D+02  0.518220D+01  0.877053D+01
      6   0.562904D+01  0.105700D+02  0.550271D+01 -0.238816D+01 -0.278237D+01
               166           167           168           169           170 
      1  -0.306682D+01 -0.323052D+01 -0.344740D+01 -0.225046D+02 -0.558244D+01
      2  -0.292100D+01  0.126740D+02  0.585247D+01  0.979715D+01  0.640872D+01
      3   0.598782D+01 -0.944346D+01 -0.240507D+01  0.127074D+02 -0.826278D+00
      4   0.241452D+02 -0.319463D+02 -0.174441D+02  0.156478D+02 -0.241899D+02
      5   0.843031D+01 -0.159073D+02 -0.130931D+02  0.207664D+02 -0.182487D+02
      6  -0.630711D+01  0.127792D+02  0.105820D+02 -0.100057D+02  0.127163D+02
               171           172           173           174           175 
      1   0.460330D+00  0.175162D+02 -0.405355D+01  0.897100D+01  0.719027D+00
      2  -0.947347D+00 -0.866583D+01 -0.756511D-02 -0.440576D+01 -0.285956D+01
      3   0.487017D+00 -0.885041D+01  0.406111D+01 -0.456524D+01  0.214053D+01
      4  -0.211179D+02 -0.120309D+02  0.144461D+02 -0.861292D+01  0.145444D+02
      5  -0.208236D+02  0.154827D+02 -0.696067D+01  0.131802D+02 -0.610444D+01
      6   0.124480D+02 -0.520344D+01  0.256923D+01 -0.353653D+01  0.403943D+01
               176           177           178           179           180 
      1   0.174151D+01  0.607750D+00  0.203191D+02  0.578698D+00  0.202782D+01
      2   0.339610D+01 -0.231544D+01 -0.102430D+02 -0.245910D+01 -0.338167D+01
      3  -0.513760D+01  0.170769D+01 -0.100760D+02  0.188041D+01  0.135385D+01
      4  -0.159066D+02  0.938156D+01 -0.135034D+02  0.164673D+02 -0.181678D+02
      5   0.891637D+01 -0.913659D+01  0.184933D+02 -0.160564D+02  0.271597D+02
      6  -0.568658D+01  0.757607D+01 -0.687125D+01  0.900336D+01 -0.104656D+02
               181           182           183           184           185 
      1  -0.123240D+02  0.333680D+01 -0.159190D+02  0.995341D+00 -0.159737D+02
      2   0.369894D+01 -0.174295D+01  0.570728D+01 -0.114909D+01  0.909166D+01
      3   0.862501D+01 -0.159385D+01  0.102117D+02  0.153751D+00  0.688208D+01
      4  -0.212083D+01 -0.565482D+01  0.942056D+00 -0.321579D+01  0.761231D+01
      5  -0.863269D+01  0.144826D+01 -0.549562D+01  0.744010D+00 -0.565023D+01
      6  -0.461665D+01  0.197634D+01 -0.465279D+01  0.187790D+01 -0.598842D+01
               186           187           188           189           190 
      1   0.837647D+01 -0.264019D+02  0.824314D+01 -0.254690D+02  0.108826D+02
      2  -0.396739D+01  0.109403D+02 -0.181163D+01  0.476309D+00 -0.773687D+01
      3  -0.440908D+01  0.154615D+02 -0.643151D+01  0.249926D+02 -0.314570D+01
      4  -0.544814D+01 -0.122035D+00 -0.799729D+01  0.104001D+02 -0.103360D+02
      5   0.133092D+02 -0.229680D+01  0.119962D+02 -0.336803D+02 -0.132682D+02
      6   0.998325D+01 -0.274701D+01  0.788887D+01 -0.140504D+02  0.273438D+01
               191           192           193           194           195 
      1  -0.104729D+02 -0.112840D+02 -0.242183D+02  0.130464D+02  0.701551D+01
      2   0.628016D+01  0.737756D+01  0.151380D+02 -0.805006D+01 -0.940519D+01
      3   0.419276D+01  0.390644D+01  0.908030D+01 -0.499630D+01  0.238968D+01
      4   0.108527D+02  0.586425D+01  0.232639D+02 -0.305655D+02 -0.267117D+02
      5   0.693029D+01  0.155843D+02  0.173780D+02 -0.276949D+02 -0.329442D+02
      6  -0.183208D+01 -0.123785D+01 -0.470783D+01  0.843087D+01  0.853594D+01
               196           197           198           199           200 
      1  -0.244260D+02  0.409419D+01  0.152144D+02  0.474238D+02 -0.112856D+02
      2   0.182988D+02 -0.783547D+01 -0.221534D+02 -0.234187D+02  0.555943D+01
      3   0.612715D+01  0.374128D+01  0.693896D+01 -0.240051D+02  0.572617D+01
      4   0.112346D+02 -0.273149D+02 -0.273993D+02 -0.101808D+02  0.138336D+02
      5   0.337235D+02 -0.288411D+02 -0.519357D+02  0.229914D+02 -0.754056D+01
      6  -0.276124D+01  0.842783D+01  0.793378D+01 -0.631386D+00 -0.749909D+00
               201           202           203           204           205 
      1   0.246342D+02 -0.213469D+02  0.174756D+02 -0.993717D+01  0.566329D+02
      2  -0.115743D+02  0.104984D+02 -0.732111D+01  0.339067D+01 -0.288919D+02
      3  -0.130599D+02  0.108485D+02 -0.101545D+02  0.654650D+01 -0.277410D+02
      4  -0.748749D+01  0.216928D+02 -0.128016D+02  0.772822D+01 -0.120928D+02
      5   0.213683D+02 -0.990761D+01  0.734458D+01 -0.164398D+02  0.329747D+02
      6   0.156118D+00 -0.183205D+00 -0.140255D+01  0.288205D+01 -0.160983D+00
               206           207           208           209           210 
      1  -0.124237D+02  0.284894D+02  0.493276D+02  0.288643D+02 -0.897666D+01
      2   0.515669D+01 -0.165952D+02 -0.215750D+02 -0.118868D+02  0.515499D+01
      3   0.726704D+01 -0.118942D+02 -0.277526D+02 -0.169774D+02  0.382168D+01
      4   0.143617D+02 -0.150908D+02  0.360294D+02  0.318676D+02 -0.101048D+02
      5  -0.155894D+02  0.418158D+02 -0.149816D+02 -0.114901D+02  0.139815D+02
      6   0.243020D+01  0.195911D+00 -0.632259D+01 -0.501576D+01  0.287264D+01
               211           212           213           214           215 
      1   0.597545D+02  0.327594D+02 -0.129191D+02 -0.107381D+02 -0.744838D+01
      2  -0.240055D+02 -0.623843D+01  0.627000D+01  0.696523D+01  0.339573D+01
      3  -0.357489D+02 -0.265209D+02  0.664906D+01  0.377290D+01  0.405265D+01
      4   0.552814D+02  0.633481D+02 -0.186991D+02 -0.124433D+02 -0.154945D+02
      5  -0.228859D+02 -0.198897D+02  0.155096D+02  0.226157D+02  0.962997D+01
      6  -0.100051D+02 -0.119426D+02  0.795234D+01  0.515194D+01  0.735091D+01
               216           217           218           219           220 
      1   0.134590D+02  0.113973D+02 -0.138854D+01  0.121065D+02 -0.696787D+01
      2  -0.819063D+01 -0.992367D+01  0.384708D+01 -0.126495D+02  0.705805D+01
      3  -0.526840D+01 -0.147366D+01 -0.245854D+01  0.542978D+00 -0.901800D-01
      4   0.908622D+01  0.326119D+01  0.881796D+01  0.336031D+01  0.529806D+01
      5  -0.139365D+02  0.190650D+02  0.269367D+00  0.237717D+02 -0.644647D+01
      6  -0.423684D+01  0.376312D+01  0.215372D+01  0.513141D+01  0.810783D+00
               221           222           223           224           225 
      1   0.359050D+01 -0.248653D+01  0.146327D+02 -0.226877D+01  0.367482D+01
      2  -0.251340D+01  0.682258D+01 -0.154329D+02  0.501061D+01 -0.240740D+02
      3  -0.107710D+01 -0.433604D+01  0.800256D+00 -0.274184D+01  0.203991D+02
      4  -0.140006D+01  0.426524D+01  0.456294D+01  0.763868D+01  0.218601D+01
      5   0.594512D+01 -0.150234D+02  0.245135D+02 -0.148732D+01  0.532338D+02
      6  -0.145834D+01  0.499583D+00  0.555458D+01  0.430253D+01  0.137402D+02
               226           227           228           229           230 
      1  -0.548248D+02  0.136319D+02  0.122794D+02  0.748671D+01 -0.108720D+02
      2   0.304738D+02 -0.122024D+02 -0.700432D+01 -0.583667D+01  0.107114D+02
      3   0.243509D+02 -0.142955D+01 -0.527507D+01 -0.165003D+01  0.160531D+00
      4  -0.144568D+02 -0.413296D+01 -0.156897D+01  0.158629D+01  0.348458D+01
      5  -0.774161D+00 -0.403484D+01 -0.367511D+01 -0.137527D+01 -0.608402D+00
      6   0.317817D+01 -0.523100D+01 -0.484034D+01 -0.362509D+01  0.190749D+01
               231           232           233           234           235 
      1  -0.403433D+01  0.968354D+01 -0.287681D+01 -0.654210D+01  0.132317D+02
      2   0.255247D+01 -0.518041D+01  0.982419D+00  0.766339D+00  0.294214D+01
      3   0.148186D+01 -0.450314D+01  0.189439D+01  0.577576D+01 -0.161739D+02
      4  -0.116393D+01  0.989986D+00 -0.247087D+01 -0.136239D+01  0.276411D+02
      5  -0.213257D+01  0.169142D+01 -0.410120D+00  0.504127D+01  0.215804D+01
      6   0.167024D+01 -0.356948D+01  0.293632D+01  0.326211D+01  0.185424D+01
               236           237           238           239           240 
      1   0.125121D+02 -0.658252D+00  0.125841D+02 -0.172303D+01 -0.960611D+00
      2   0.668207D+01 -0.123388D+01  0.978531D+01  0.386226D+02 -0.116418D+01
      3  -0.191941D+02  0.189213D+01 -0.223694D+02 -0.368996D+02  0.212479D+01
      4   0.340112D+02  0.452416D+00  0.396756D+02  0.711091D+02 -0.143303D+01
      5   0.265560D+01  0.772282D+01  0.200485D+01  0.170862D+01  0.654137D+01
      6   0.244989D+01  0.365116D+01  0.173116D+01  0.479796D+01  0.656158D+01
               241           242           243           244           245 
      1  -0.528734D+01 -0.263942D+00  0.318079D+01  0.192861D+01  0.131714D+01
      2  -0.989777D+00 -0.636409D+01  0.145727D+00 -0.617000D+01 -0.854618D-02
      3   0.627712D+01  0.662804D+01 -0.332652D+01  0.424139D+01 -0.130860D+01
      4  -0.732722D+01 -0.140011D+02  0.708639D+01  0.278545D+01  0.520490D+01
      5   0.788594D+01  0.546167D+01 -0.117380D+01 -0.146603D+02  0.656745D+00
      6   0.401512D+01  0.626221D+01 -0.209596D+01 -0.122687D+01 -0.958958D-01
               246           247           248           249           250 
      1  -0.826701D+01  0.126487D+01  0.137140D+01  0.282418D+00 -0.100988D+02
      2   0.700122D+01  0.337609D+00 -0.156482D+01 -0.126990D+01  0.107553D+02
      3   0.126579D+01 -0.160248D+01  0.193426D+00  0.987483D+00 -0.656493D+00
      4  -0.438951D+00  0.832384D+01 -0.123702D+01 -0.492573D+01 -0.206058D+01
      5   0.139323D+02  0.535657D+00 -0.537091D+01 -0.212833D+00  0.195120D+02
      6   0.113306D+01 -0.146997D+01 -0.680318D+00  0.515702D+01  0.914551D+00
               251           252           253           254           255 
      1   0.534533D+00 -0.408737D+01 -0.911804D+02 -0.112045D+02  0.819302D+01
      2  -0.900470D+00 -0.176137D+02  0.495759D+02  0.153472D+02 -0.611472D+01
      3   0.365937D+00  0.217011D+02  0.416044D+02 -0.414273D+01 -0.207830D+01
      4  -0.841783D+01  0.159059D+01 -0.190233D+02  0.270057D+02  0.278490D+01
      5   0.216662D+00 -0.462410D+02  0.119807D+02  0.193097D+00  0.936393D+01
      6   0.372690D+01 -0.462684D+01  0.624032D+01 -0.209096D-01  0.521914D+01
               256           257           258           259           260 
      1   0.195122D+02  0.346010D+02 -0.515011D+01  0.197208D+02 -0.456965D+01
      2   0.242588D+01 -0.261644D+02  0.112473D+02 -0.513831D+01  0.149846D+02
      3  -0.219381D+02 -0.843661D+01 -0.609722D+01 -0.145825D+02 -0.104149D+02
      4   0.434624D+02 -0.567404D+00  0.179631D+02  0.138128D+02  0.257482D+02
      5   0.539262D+01  0.197613D+02 -0.442184D+01  0.109126D+02 -0.858388D+01
      6   0.454426D+01  0.143517D+02 -0.184986D+01  0.493991D+01 -0.414464D+01
               261           262           263           264           265 
      1   0.172699D+02  0.461419D+01 -0.781756D+01  0.517962D+00 -0.335471D+01
      2  -0.631551D+01  0.462809D+01 -0.428946D+01  0.269944D+00 -0.100929D+02
      3  -0.109544D+02 -0.924228D+01  0.121070D+02 -0.787906D+00  0.134476D+02
      4  -0.378988D+01 -0.157272D+02  0.232381D+02 -0.112337D+01  0.272942D+02
      5  -0.297385D+02 -0.756574D+00  0.740899D-01  0.246634D+01  0.130865D-01
      6  -0.144122D+02 -0.312609D+00  0.216393D+00 -0.869227D+00  0.566525D+00
               266           267           268           269           270 
      1  -0.124645D+02 -0.201972D+00  0.152814D+01  0.313691D+01 -0.171141D+01
      2   0.450248D+02 -0.205705D+01  0.472727D+01 -0.167392D+02  0.494404D+01
      3  -0.325604D+02  0.225902D+01 -0.625541D+01  0.136022D+02 -0.323263D+01
      4  -0.690846D+02  0.212199D+01 -0.120765D+02  0.286358D+02 -0.820968D+01
      5  -0.241268D-01 -0.834559D+01  0.352939D+01 -0.739649D+01  0.210265D+01
      6  -0.829585D+00  0.595779D+01 -0.307922D+01  0.870770D+01 -0.263418D+01
               271           272           273           274           275 
      1   0.594035D+01  0.313010D+01  0.595133D+01 -0.234338D+01 -0.735012D+01
      2  -0.529489D+01 -0.361126D+01 -0.241501D+01  0.239855D+00  0.568393D+01
      3  -0.645462D+00  0.481151D+00 -0.353632D+01  0.210353D+01  0.166619D+01
      4   0.936488D+00 -0.314117D+01  0.119732D+01 -0.159117D+01  0.248485D+01
      5   0.372530D+01 -0.356057D+00 -0.118007D+00  0.478766D+00  0.383108D+01
      6   0.182921D+01 -0.106836D+01 -0.158923D+01  0.170280D+00  0.265031D+01
               276           277           278           279           280 
      1  -0.255055D+01  0.120135D+02 -0.295702D+01 -0.127590D+02  0.134182D+03
      2   0.180531D+01 -0.562302D+01  0.354127D+01 -0.312690D+01 -0.630975D+02
      3   0.745239D+00 -0.639050D+01 -0.584252D+00  0.158859D+02 -0.710841D+02
      4   0.375431D+01  0.935162D+01  0.128284D+02  0.889863D+01  0.508552D+02
      5   0.511144D+01  0.765865D+01  0.102934D+02  0.414698D+02 -0.506956D+01
      6   0.639957D+01  0.223350D+01  0.931701D+01  0.229707D+02 -0.210860D+01
               281           282           283           284           285 
      1   0.130236D+02 -0.517843D+01 -0.787692D+01  0.735335D+01  0.701163D+00
      2  -0.161687D+01  0.286212D+01  0.687552D+01 -0.135676D+01 -0.158498D+01
      3  -0.114067D+02  0.231630D+01  0.100139D+01 -0.599659D+01  0.883815D+00
      4   0.206772D+02 -0.818177D+00  0.113231D+02  0.409702D+01 -0.239379D+01
      5  -0.206758D-01  0.125005D+02 -0.388427D+00 -0.264567D+01 -0.693552D-01
      6   0.266019D+00  0.365895D+01 -0.260519D+00 -0.131697D+01  0.753149D+00
               286           287           288           289           290 
      1  -0.134663D+02 -0.826329D+00  0.965068D+01  0.966475D+00  0.138846D+02
      2   0.641058D+01 -0.160561D+01 -0.589813D+01  0.201428D+01 -0.147018D+02
      3   0.705571D+01  0.243194D+01 -0.375254D+01 -0.298075D+01  0.817131D+00
      4  -0.676226D+01 -0.530621D+01  0.469046D+01  0.358060D+01 -0.813453D+01
      5   0.159989D+02  0.278640D+01 -0.662165D+00 -0.319977D+01  0.142448D+01
      6   0.424565D+01  0.217272D+01  0.503497D+00 -0.247218D+01  0.204068D+01
               291           292           293           294           295 
      1  -0.493844D+01  0.899945D+01 -0.305099D+02  0.680737D+01 -0.798800D+01
      2   0.377159D+01 -0.434400D+01  0.478899D+02 -0.997794D+01  0.261826D+01
      3   0.116685D+01 -0.465546D+01 -0.173800D+02  0.317056D+01  0.536975D+01
      4  -0.494347D+00  0.727617D+01  0.441721D+02 -0.105186D+02 -0.675929D+01
      5  -0.262014D+01 -0.699322D+00 -0.128303D+02  0.899961D+01  0.129106D+01
      6  -0.287311D+01 -0.451997D+00 -0.106542D+02  0.869675D+01  0.164702D+00
               296           297 
      1   0.873671D+01 -0.857622D+01
      2  -0.139887D+02  0.760399D+01
      3   0.525200D+01  0.972232D+00
      4  -0.200325D+02  0.888203D+01
      5   0.109160D+02 -0.549666D+01
      6   0.108093D+02 -0.611534D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 13:47:12 2021, MaxMem=  6442450944 cpu:           34221.2 elap:            4286.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19709 -19.14135 -10.32765 -10.21402 -10.20291
 Alpha  occ. eigenvalues --  -10.19639 -10.19229 -10.19201 -10.19044 -10.18965
 Alpha  occ. eigenvalues --  -10.18961 -10.18636 -10.18515 -10.17638 -10.17265
 Alpha  occ. eigenvalues --   -1.10918  -1.01871  -0.86728  -0.82185  -0.79690
 Alpha  occ. eigenvalues --   -0.74620  -0.74308  -0.68423  -0.68105  -0.67088
 Alpha  occ. eigenvalues --   -0.61549  -0.60536  -0.57461  -0.56058  -0.51841
 Alpha  occ. eigenvalues --   -0.51124  -0.49102  -0.47406  -0.47111  -0.45286
 Alpha  occ. eigenvalues --   -0.45126  -0.44475  -0.43196  -0.42611  -0.42087
 Alpha  occ. eigenvalues --   -0.41767  -0.39325  -0.38833  -0.38375  -0.37666
 Alpha  occ. eigenvalues --   -0.37063  -0.36496  -0.35136  -0.34651  -0.33765
 Alpha  occ. eigenvalues --   -0.33685  -0.33109  -0.32742  -0.29241  -0.26235
 Alpha  occ. eigenvalues --   -0.24723
 Alpha virt. eigenvalues --   -0.02741  -0.01931   0.00204   0.00740   0.01869
 Alpha virt. eigenvalues --    0.02871   0.03549   0.04283   0.04820   0.05341
 Alpha virt. eigenvalues --    0.06614   0.06922   0.07743   0.08557   0.08800
 Alpha virt. eigenvalues --    0.08931   0.09638   0.10053   0.10953   0.11175
 Alpha virt. eigenvalues --    0.11674   0.12334   0.12398   0.13144   0.13558
 Alpha virt. eigenvalues --    0.13771   0.14035   0.14262   0.14645   0.15119
 Alpha virt. eigenvalues --    0.15268   0.16057   0.16500   0.17313   0.17699
 Alpha virt. eigenvalues --    0.18298   0.18571   0.18936   0.19942   0.19967
 Alpha virt. eigenvalues --    0.20642   0.21624   0.21760   0.22332   0.22714
 Alpha virt. eigenvalues --    0.22915   0.23763   0.24715   0.24799   0.25151
 Alpha virt. eigenvalues --    0.25655   0.26062   0.26694   0.27338   0.27671
 Alpha virt. eigenvalues --    0.27849   0.28431   0.28899   0.29778   0.29970
 Alpha virt. eigenvalues --    0.30154   0.30501   0.30643   0.31331   0.31826
 Alpha virt. eigenvalues --    0.32199   0.32414   0.32829   0.33288   0.33795
 Alpha virt. eigenvalues --    0.33966   0.34342   0.34655   0.34801   0.35137
 Alpha virt. eigenvalues --    0.35342   0.35587   0.35698   0.36033   0.36765
 Alpha virt. eigenvalues --    0.36936   0.36984   0.37587   0.37901   0.38396
 Alpha virt. eigenvalues --    0.38475   0.38792   0.38978   0.39510   0.39550
 Alpha virt. eigenvalues --    0.39826   0.40059   0.40743   0.41550   0.42100
 Alpha virt. eigenvalues --    0.42346   0.42628   0.43224   0.43578   0.43717
 Alpha virt. eigenvalues --    0.44186   0.44408   0.44611   0.45042   0.45545
 Alpha virt. eigenvalues --    0.45865   0.46087   0.46631   0.47052   0.47132
 Alpha virt. eigenvalues --    0.47341   0.47976   0.48544   0.49063   0.49509
 Alpha virt. eigenvalues --    0.50142   0.50280   0.50734   0.50995   0.51371
 Alpha virt. eigenvalues --    0.51750   0.51875   0.52282   0.52647   0.53579
 Alpha virt. eigenvalues --    0.53749   0.53780   0.54978   0.55299   0.55969
 Alpha virt. eigenvalues --    0.56576   0.56641   0.56775   0.57546   0.57637
 Alpha virt. eigenvalues --    0.57916   0.58568   0.58880   0.59450   0.59885
 Alpha virt. eigenvalues --    0.60703   0.61347   0.61496   0.61973   0.62083
 Alpha virt. eigenvalues --    0.62256   0.63022   0.63879   0.63934   0.64628
 Alpha virt. eigenvalues --    0.65436   0.65557   0.65847   0.67396   0.68071
 Alpha virt. eigenvalues --    0.68437   0.68762   0.69014   0.69368   0.69994
 Alpha virt. eigenvalues --    0.70860   0.71503   0.72030   0.72782   0.72931
 Alpha virt. eigenvalues --    0.73855   0.74323   0.75086   0.75644   0.76822
 Alpha virt. eigenvalues --    0.77101   0.77845   0.78126   0.78604   0.79644
 Alpha virt. eigenvalues --    0.80513   0.80994   0.82191   0.83006   0.84036
 Alpha virt. eigenvalues --    0.84340   0.85191   0.85956   0.87568   0.88537
 Alpha virt. eigenvalues --    0.89309   0.89686   0.90413   0.91901   0.92572
 Alpha virt. eigenvalues --    0.93289   0.94734   0.95466   0.96966   0.97814
 Alpha virt. eigenvalues --    0.98019   0.98582   0.99176   1.00017   1.00382
 Alpha virt. eigenvalues --    1.01040   1.01928   1.02486   1.03119   1.04200
 Alpha virt. eigenvalues --    1.04444   1.04795   1.05660   1.05845   1.07420
 Alpha virt. eigenvalues --    1.07866   1.08336   1.08723   1.09155   1.12358
 Alpha virt. eigenvalues --    1.13528   1.14808   1.16781   1.17301   1.18148
 Alpha virt. eigenvalues --    1.18435   1.19976   1.20940   1.21090   1.22468
 Alpha virt. eigenvalues --    1.23518   1.24025   1.25142   1.25289   1.26200
 Alpha virt. eigenvalues --    1.27332   1.29048   1.29283   1.30536   1.31742
 Alpha virt. eigenvalues --    1.33054   1.34747   1.35326   1.36255   1.37038
 Alpha virt. eigenvalues --    1.37582   1.37824   1.38662   1.39751   1.42066
 Alpha virt. eigenvalues --    1.43683   1.44777   1.45362   1.46610   1.48293
 Alpha virt. eigenvalues --    1.48851   1.51362   1.52974   1.53262   1.54980
 Alpha virt. eigenvalues --    1.56994   1.58084   1.60101   1.61184   1.62631
 Alpha virt. eigenvalues --    1.62999   1.64381   1.66096   1.66916   1.68801
 Alpha virt. eigenvalues --    1.69459   1.71266   1.72201   1.72541   1.74123
 Alpha virt. eigenvalues --    1.74597   1.75334   1.75860   1.76546   1.78545
 Alpha virt. eigenvalues --    1.79126   1.80692   1.82104   1.82468   1.82996
 Alpha virt. eigenvalues --    1.84486   1.85429   1.86349   1.86948   1.87898
 Alpha virt. eigenvalues --    1.89135   1.89761   1.91226   1.91758   1.92549
 Alpha virt. eigenvalues --    1.93603   1.94218   1.95425   1.96462   1.96918
 Alpha virt. eigenvalues --    1.98766   2.00249   2.01015   2.02379   2.02646
 Alpha virt. eigenvalues --    2.03063   2.05231   2.05587   2.06153   2.06876
 Alpha virt. eigenvalues --    2.08482   2.08872   2.10071   2.10469   2.11330
 Alpha virt. eigenvalues --    2.12405   2.13203   2.14138   2.16162   2.16577
 Alpha virt. eigenvalues --    2.17050   2.18560   2.19560   2.20460   2.21230
 Alpha virt. eigenvalues --    2.22527   2.23315   2.24940   2.26164   2.27462
 Alpha virt. eigenvalues --    2.28428   2.30695   2.31808   2.32888   2.34185
 Alpha virt. eigenvalues --    2.35319   2.38293   2.40231   2.40888   2.43116
 Alpha virt. eigenvalues --    2.43426   2.43830   2.44981   2.47876   2.48424
 Alpha virt. eigenvalues --    2.49603   2.51761   2.53991   2.55463   2.56916
 Alpha virt. eigenvalues --    2.57199   2.58567   2.61423   2.62643   2.64881
 Alpha virt. eigenvalues --    2.66304   2.66607   2.67564   2.68415   2.69447
 Alpha virt. eigenvalues --    2.70316   2.71912   2.72858   2.73336   2.80891
 Alpha virt. eigenvalues --    2.84669   2.86115   2.86688   2.89414   2.92761
 Alpha virt. eigenvalues --    2.94182   2.95300   2.96176   2.99509   3.00704
 Alpha virt. eigenvalues --    3.01591   3.03521   3.04556   3.05270   3.06495
 Alpha virt. eigenvalues --    3.07806   3.10516   3.12872   3.13713   3.15826
 Alpha virt. eigenvalues --    3.16487   3.17316   3.19117   3.21170   3.22510
 Alpha virt. eigenvalues --    3.23541   3.26261   3.27778   3.36613   3.38702
 Alpha virt. eigenvalues --    3.62948   3.66624   3.82221   3.94998
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.393688  -1.604666  -1.417616   0.919472   0.332312   0.071532
     2  C   -1.604666  14.169606   0.726178  -0.964987   0.820640  -2.020354
     3  C   -1.417616   0.726178  10.553505  -1.796690  -0.109664   0.171045
     4  C    0.919472  -0.964987  -1.796690  14.367907  -2.079739   0.816204
     5  C    0.332312   0.820640  -0.109664  -2.079739   9.894322  -1.733615
     6  C    0.071532  -2.020354   0.171045   0.816204  -1.733615   9.978051
     7  C   -1.266195   0.288379  -0.022246   0.179452   0.028773  -1.179788
     8  C    0.019041   0.012492  -0.000008  -0.003063   0.007962   0.030377
     9  C   -0.014917  -0.028698   0.000090   0.000046  -0.001219  -0.001825
    10  C    0.034406  -0.063774  -0.005474  -0.003483   0.005207  -0.015690
    11  C    0.004484   0.158016  -1.409279   0.413653  -1.018203   0.009821
    12  C    0.004044   0.006162  -0.190642   0.228989  -0.199692  -0.001283
    13  O    0.000733   0.001218   0.030576  -0.090395   0.018648   0.009740
    14  O   -0.000502   0.000440   0.012602  -0.016655  -0.002425   0.000533
    15  H    0.692185  -1.887745  -0.953291  -0.084906   0.184160   0.104848
    16  H   -0.968207  -0.102426   0.677621  -2.296538   0.128346   0.205611
    17  H    0.189954  -0.060052   0.050154  -1.731118   0.690733  -0.548216
    18  H    0.062732  -1.800879   0.228637   0.039330  -0.939093   0.504596
    19  H    0.160095  -0.090101  -0.001288  -0.013500  -0.013285   0.061250
    20  H   -0.088164  -0.165049   0.023360   0.006356   0.012695   0.078521
    21  H   -0.049134  -0.033601   0.000609   0.001030   0.006359  -0.111584
    22  H   -0.003068  -0.003803   0.000051   0.000040  -0.000269   0.001501
    23  H    0.002273   0.005801  -0.000165  -0.000019   0.000092  -0.002511
    24  H    0.001601   0.005487  -0.000015  -0.000020  -0.000016   0.000963
    25  H    0.004368  -0.033201   0.001019   0.000291  -0.000287   0.000839
    26  H    0.013933   0.021425   0.000634  -0.004976   0.001641   0.024664
    27  H   -0.014452   0.011276   0.001701   0.000839   0.000200  -0.010713
    28  H    0.008824   0.001653  -0.099902  -0.352201   0.117975   0.015413
    29  C    0.002930   0.005384  -0.034399   0.023951  -0.049966  -0.008121
    30  H   -0.000234  -0.000360   0.000328   0.005207  -0.001110  -0.000233
    31  H    0.000105   0.001316  -0.012090  -0.015824  -0.022699   0.006651
    32  H    0.000176  -0.000231  -0.019112  -0.001246  -0.001679  -0.000899
    33  H   -0.003854   0.003523   0.050431  -0.075412   0.004370  -0.000031
               7          8          9         10         11         12
     1  C   -1.266195   0.019041  -0.014917   0.034406   0.004484   0.004044
     2  C    0.288379   0.012492  -0.028698  -0.063774   0.158016   0.006162
     3  C   -0.022246  -0.000008   0.000090  -0.005474  -1.409279  -0.190642
     4  C    0.179452  -0.003063   0.000046  -0.003483   0.413653   0.228989
     5  C    0.028773   0.007962  -0.001219   0.005207  -1.018203  -0.199692
     6  C   -1.179788   0.030377  -0.001825  -0.015690   0.009821  -0.001283
     7  C    7.670238   0.076146  -0.010944  -0.048348  -0.002642  -0.000321
     8  C    0.076146   6.032526   0.317499   0.397358  -0.000124   0.000174
     9  C   -0.010944   0.317499   4.269995  -0.045291   0.000002  -0.000002
    10  C   -0.048348   0.397358  -0.045291   4.087260  -0.000178  -0.000086
    11  C   -0.002642  -0.000124   0.000002  -0.000178   8.057037   0.338341
    12  C   -0.000321   0.000174  -0.000002  -0.000086   0.338341   5.109366
    13  O   -0.000083  -0.000007  -0.000000   0.000009  -0.090292   0.139642
    14  O    0.000087  -0.000065   0.000000  -0.000108  -0.047365  -0.119510
    15  H   -0.474001   0.008617  -0.005179   0.033624   0.022347   0.004343
    16  H    0.011234  -0.000286   0.000038  -0.000675  -0.571929  -0.093608
    17  H    0.011639   0.001962  -0.000094  -0.000283  -0.403785  -0.056342
    18  H   -0.558553   0.011623   0.005690  -0.001182   0.002122   0.007620
    19  H   -0.140401   0.034067  -0.105019   0.021816  -0.000084   0.000082
    20  H    0.073538   0.057696   0.023003  -0.028974  -0.000086  -0.000083
    21  H    0.137995  -0.002959  -0.060466   0.004465  -0.000026  -0.000025
    22  H   -0.003624  -0.043264   0.394024   0.008790   0.000001  -0.000000
    23  H    0.006007   0.205803   0.027722  -0.014128   0.000000   0.000000
    24  H    0.011797   0.184201   0.088227  -0.018667  -0.000001   0.000000
    25  H   -0.034432   0.131392  -0.007863   0.133354   0.000024  -0.000007
    26  H   -0.149772   0.152241   0.005335   0.212868  -0.000368   0.000150
    27  H    0.068471   0.125320  -0.007294   0.092125   0.000005  -0.000002
    28  H    0.000004   0.000087  -0.000000  -0.000041   0.126037  -0.156415
    29  C   -0.000148  -0.000015   0.000000   0.000000   0.322565   0.004118
    30  H   -0.000002  -0.000004   0.000000   0.000007   0.015197   0.146139
    31  H    0.000031  -0.000001   0.000000  -0.000000   0.122290  -0.004014
    32  H    0.000000  -0.000000   0.000000  -0.000000   0.194991  -0.014052
    33  H   -0.000030   0.000002  -0.000000   0.000000   0.151441   0.011278
              13         14         15         16         17         18
     1  C    0.000733  -0.000502   0.692185  -0.968207   0.189954   0.062732
     2  C    0.001218   0.000440  -1.887745  -0.102426  -0.060052  -1.800879
     3  C    0.030576   0.012602  -0.953291   0.677621   0.050154   0.228637
     4  C   -0.090395  -0.016655  -0.084906  -2.296538  -1.731118   0.039330
     5  C    0.018648  -0.002425   0.184160   0.128346   0.690733  -0.939093
     6  C    0.009740   0.000533   0.104848   0.205611  -0.548216   0.504596
     7  C   -0.000083   0.000087  -0.474001   0.011234   0.011639  -0.558553
     8  C   -0.000007  -0.000065   0.008617  -0.000286   0.001962   0.011623
     9  C   -0.000000   0.000000  -0.005179   0.000038  -0.000094   0.005690
    10  C    0.000009  -0.000108   0.033624  -0.000675  -0.000283  -0.001182
    11  C   -0.090292  -0.047365   0.022347  -0.571929  -0.403785   0.002122
    12  C    0.139642  -0.119510   0.004343  -0.093608  -0.056342   0.007620
    13  O    8.415903   0.042118  -0.000315   0.009751   0.024100  -0.000626
    14  O    0.042118   8.405465  -0.000028  -0.002893  -0.001483  -0.000341
    15  H   -0.000315  -0.000028   4.051621  -1.244575  -0.024882   0.081209
    16  H    0.009751  -0.002893  -1.244575   4.410842   0.077320  -0.028678
    17  H    0.024100  -0.001483  -0.024882   0.077320   3.234019  -0.907569
    18  H   -0.000626  -0.000341   0.081209  -0.028678  -0.907569   4.012306
    19  H   -0.000014   0.000004   0.032110  -0.001142  -0.002655   0.019794
    20  H    0.000007   0.000015  -0.045340   0.000917  -0.000151   0.027963
    21  H   -0.000010   0.000013  -0.014228   0.000664   0.001205  -0.095590
    22  H   -0.000000  -0.000000  -0.000359   0.000000  -0.000003   0.002528
    23  H   -0.000000   0.000000   0.000773  -0.000002   0.000002  -0.000889
    24  H   -0.000000   0.000000   0.000307  -0.000002  -0.000004   0.000767
    25  H    0.000001  -0.000008  -0.010504   0.000435  -0.000019   0.000646
    26  H   -0.000004   0.000147   0.016820   0.001007   0.000037   0.004409
    27  H   -0.000001  -0.000017  -0.006571   0.000146   0.000049  -0.001408
    28  H   -0.000311  -0.079728  -0.002342   0.029352   0.021958  -0.000770
    29  C    0.016430   0.033339   0.002012  -0.051619   0.005049   0.002124
    30  H   -0.059452   0.112321  -0.000010   0.000469   0.000588   0.000015
    31  H    0.012660  -0.000258   0.000182  -0.003019  -0.016781   0.001279
    32  H   -0.003618   0.004757   0.000056  -0.006696   0.004008  -0.000059
    33  H    0.006936  -0.001093  -0.000617   0.021371  -0.009342   0.000531
              19         20         21         22         23         24
     1  C    0.160095  -0.088164  -0.049134  -0.003068   0.002273   0.001601
     2  C   -0.090101  -0.165049  -0.033601  -0.003803   0.005801   0.005487
     3  C   -0.001288   0.023360   0.000609   0.000051  -0.000165  -0.000015
     4  C   -0.013500   0.006356   0.001030   0.000040  -0.000019  -0.000020
     5  C   -0.013285   0.012695   0.006359  -0.000269   0.000092  -0.000016
     6  C    0.061250   0.078521  -0.111584   0.001501  -0.002511   0.000963
     7  C   -0.140401   0.073538   0.137995  -0.003624   0.006007   0.011797
     8  C    0.034067   0.057696  -0.002959  -0.043264   0.205803   0.184201
     9  C   -0.105019   0.023003  -0.060466   0.394024   0.027722   0.088227
    10  C    0.021816  -0.028974   0.004465   0.008790  -0.014128  -0.018667
    11  C   -0.000084  -0.000086  -0.000026   0.000001   0.000000  -0.000001
    12  C    0.000082  -0.000083  -0.000025  -0.000000   0.000000   0.000000
    13  O   -0.000014   0.000007  -0.000010  -0.000000  -0.000000  -0.000000
    14  O    0.000004   0.000015   0.000013  -0.000000   0.000000   0.000000
    15  H    0.032110  -0.045340  -0.014228  -0.000359   0.000773   0.000307
    16  H   -0.001142   0.000917   0.000664   0.000000  -0.000002  -0.000002
    17  H   -0.002655  -0.000151   0.001205  -0.000003   0.000002  -0.000004
    18  H    0.019794   0.027963  -0.095590   0.002528  -0.000889   0.000767
    19  H    1.318421  -0.363906   0.102827  -0.039399   0.011504   0.016106
    20  H   -0.363906   1.278640  -0.035532   0.006906  -0.048049  -0.000749
    21  H    0.102827  -0.035532   1.481903  -0.019329  -0.000545   0.033497
    22  H   -0.039399   0.006906  -0.019329   0.933384  -0.132014  -0.054467
    23  H    0.011504  -0.048049  -0.000545  -0.132014   0.913411  -0.009635
    24  H    0.016106  -0.000749   0.033497  -0.054467  -0.009635   0.906860
    25  H   -0.012007   0.053687  -0.018994  -0.001521   0.014035  -0.015766
    26  H    0.003339  -0.016386  -0.041773  -0.004466   0.001751   0.005251
    27  H   -0.004432   0.001089   0.059443   0.012382  -0.027917   0.012242
    28  H    0.000013  -0.000017  -0.000001  -0.000000  -0.000000   0.000000
    29  C   -0.000002   0.000030   0.000002  -0.000000  -0.000000   0.000000
    30  H   -0.000000  -0.000000  -0.000000   0.000000   0.000000  -0.000000
    31  H    0.000008   0.000003   0.000001   0.000000   0.000000   0.000000
    32  H    0.000000  -0.000000  -0.000000   0.000000   0.000000   0.000000
    33  H   -0.000001  -0.000003   0.000000  -0.000000  -0.000000   0.000000
              25         26         27         28         29         30
     1  C    0.004368   0.013933  -0.014452   0.008824   0.002930  -0.000234
     2  C   -0.033201   0.021425   0.011276   0.001653   0.005384  -0.000360
     3  C    0.001019   0.000634   0.001701  -0.099902  -0.034399   0.000328
     4  C    0.000291  -0.004976   0.000839  -0.352201   0.023951   0.005207
     5  C   -0.000287   0.001641   0.000200   0.117975  -0.049966  -0.001110
     6  C    0.000839   0.024664  -0.010713   0.015413  -0.008121  -0.000233
     7  C   -0.034432  -0.149772   0.068471   0.000004  -0.000148  -0.000002
     8  C    0.131392   0.152241   0.125320   0.000087  -0.000015  -0.000004
     9  C   -0.007863   0.005335  -0.007294  -0.000000   0.000000   0.000000
    10  C    0.133354   0.212868   0.092125  -0.000041   0.000000   0.000007
    11  C    0.000024  -0.000368   0.000005   0.126037   0.322565   0.015197
    12  C   -0.000007   0.000150  -0.000002  -0.156415   0.004118   0.146139
    13  O    0.000001  -0.000004  -0.000001  -0.000311   0.016430  -0.059452
    14  O   -0.000008   0.000147  -0.000017  -0.079728   0.033339   0.112321
    15  H   -0.010504   0.016820  -0.006571  -0.002342   0.002012  -0.000010
    16  H    0.000435   0.001007   0.000146   0.029352  -0.051619   0.000469
    17  H   -0.000019   0.000037   0.000049   0.021958   0.005049   0.000588
    18  H    0.000646   0.004409  -0.001408  -0.000770   0.002124   0.000015
    19  H   -0.012007   0.003339  -0.004432   0.000013  -0.000002  -0.000000
    20  H    0.053687  -0.016386   0.001089  -0.000017   0.000030  -0.000000
    21  H   -0.018994  -0.041773   0.059443  -0.000001   0.000002  -0.000000
    22  H   -0.001521  -0.004466   0.012382  -0.000000  -0.000000   0.000000
    23  H    0.014035   0.001751  -0.027917  -0.000000  -0.000000   0.000000
    24  H   -0.015766   0.005251   0.012242   0.000000   0.000000  -0.000000
    25  H    0.817472  -0.016317  -0.076480  -0.000002  -0.000001   0.000000
    26  H   -0.016317   1.024851  -0.149188  -0.000022  -0.000002  -0.000008
    27  H   -0.076480  -0.149188   1.102624  -0.000000  -0.000000   0.000000
    28  H   -0.000002  -0.000022  -0.000000   1.612298  -0.272416  -0.006078
    29  C   -0.000001  -0.000002  -0.000000  -0.272416   4.228105   0.001152
    30  H    0.000000  -0.000008   0.000000  -0.006078   0.001152   0.636291
    31  H   -0.000000  -0.000001   0.000000  -0.008722   0.249203  -0.000125
    32  H   -0.000000  -0.000000   0.000000   0.018336   0.138714  -0.000015
    33  H   -0.000000   0.000001  -0.000000   0.033297   0.103239  -0.000240
              31         32         33
     1  C    0.000105   0.000176  -0.003854
     2  C    0.001316  -0.000231   0.003523
     3  C   -0.012090  -0.019112   0.050431
     4  C   -0.015824  -0.001246  -0.075412
     5  C   -0.022699  -0.001679   0.004370
     6  C    0.006651  -0.000899  -0.000031
     7  C    0.000031   0.000000  -0.000030
     8  C   -0.000001  -0.000000   0.000002
     9  C    0.000000   0.000000  -0.000000
    10  C   -0.000000  -0.000000   0.000000
    11  C    0.122290   0.194991   0.151441
    12  C   -0.004014  -0.014052   0.011278
    13  O    0.012660  -0.003618   0.006936
    14  O   -0.000258   0.004757  -0.001093
    15  H    0.000182   0.000056  -0.000617
    16  H   -0.003019  -0.006696   0.021371
    17  H   -0.016781   0.004008  -0.009342
    18  H    0.001279  -0.000059   0.000531
    19  H    0.000008   0.000000  -0.000001
    20  H    0.000003  -0.000000  -0.000003
    21  H    0.000001  -0.000000   0.000000
    22  H    0.000000   0.000000  -0.000000
    23  H    0.000000   0.000000  -0.000000
    24  H    0.000000   0.000000   0.000000
    25  H   -0.000000  -0.000000  -0.000000
    26  H   -0.000001  -0.000000   0.000001
    27  H    0.000000   0.000000  -0.000000
    28  H   -0.008722   0.018336   0.033297
    29  C    0.249203   0.138714   0.103239
    30  H   -0.000125  -0.000015  -0.000240
    31  H    0.730260   0.000731  -0.002505
    32  H    0.000731   0.762450  -0.076692
    33  H   -0.002505  -0.076692   0.886862
 Mulliken charges:
               1
     1  C   -0.487879
     2  C   -1.379069
     3  C   -0.456660
     4  C   -1.471994
     5  C   -0.081475
     6  C   -0.457298
     7  C    1.327740
     8  C   -1.756789
     9  C    1.157140
    10  C    1.215094
    11  C   -0.394011
    12  C    0.835636
    13  O   -0.483342
    14  O   -0.339365
    15  H    0.519678
    16  H    0.797171
    17  H    0.450004
    18  H    0.319716
    19  H    0.005800
    20  H    0.148065
    21  H   -0.346218
    22  H   -0.054021
    23  H    0.046698
    24  H   -0.167963
    25  H    0.069843
    26  H   -0.107218
    27  H   -0.189438
    28  H   -0.006279
    29  C    1.278340
    30  H    0.150158
    31  H   -0.038682
    32  H    0.000080
    33  H   -0.103463
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.031799
     2  C   -1.379069
     3  C    0.340511
     4  C   -1.471994
     5  C    0.368529
     6  C   -0.137582
     7  C    1.481605
     8  C   -2.103007
     9  C    0.981854
    10  C    0.988281
    11  C   -0.400290
    12  C    0.835636
    13  O   -0.483342
    14  O   -0.189207
    29  C    1.136276
 Electronic spatial extent (au):  <R**2>=           4604.4027
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.0841    Y=             -0.0817    Z=              1.2458  Tot=              1.6535
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -92.6283   YY=            -90.2589   ZZ=            -93.1723
   XY=             -0.1844   XZ=             -6.7135   YZ=             -0.1481
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.6085   YY=              1.7609   ZZ=             -1.1524
   XY=             -0.1844   XZ=             -6.7135   YZ=             -0.1481
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -16.5508  YYY=             39.4693  ZZZ=              3.9169  XYY=            -26.4238
  XXY=              3.0006  XXZ=             26.5501  XZZ=              8.4050  YZZ=             -6.4353
  YYZ=             -2.7651  XYZ=             -4.7617
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5100.2030 YYYY=           -656.4749 ZZZZ=           -530.8468 XXXY=            -37.7174
 XXXZ=            -96.2272 YYYX=           -111.2869 YYYZ=             -2.6779 ZZZX=            -13.2619
 ZZZY=              0.7780 XXYY=           -885.7769 XXZZ=           -977.2173 YYZZ=           -226.5352
 XXYZ=             11.4983 YYXZ=             -4.7180 ZZXY=              5.6307
 N-N= 9.729343982888D+02 E-N=-3.468594790541D+03  KE= 6.490933644853D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 13:47:13 2021, MaxMem=  6442450944 cpu:               4.4 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.03530702D-01-1.96657508D-03 4.77743365D-01
 Polarizability= 2.06967458D+02-4.63355540D-01 1.26884029D+02
                 2.01431848D-01-5.06064516D-02 1.45142815D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.2677   -0.2726       -0.6161   -0.6169
 2      0.2677    0.2726        0.0307    0.0256      -44.2529  -44.2566
 3      0.6161    0.6169       34.8279   34.8350       -0.0262   -0.0256
 4     -0.0307   -0.0256       -0.0000    0.0000        0.6193    0.6169
 5      9.4249    9.4215       -0.6193   -0.6169       -0.2706   -0.2726
 6      0.0262    0.0256        0.2706    0.2726       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.8178    0.8178       -1.8507   -1.8507
 2     -0.0768   -0.0768        0.0000    0.0000       -1.8507   -1.8507
 3     -0.0768   -0.0768        0.8178    0.8178       -0.0000    0.0000
 4      0.8178    0.8178        0.0768    0.0768     -132.7697 -132.7697
 5      1.8507    1.8507      104.5051  104.5051       -0.0768   -0.0768
 6     28.2646   28.2646       -1.8507   -1.8507       -0.8178   -0.8178
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2064    0.0000        0.9861    1.0904        2.4744    2.4676
 2     -1.1033   -1.0904        0.0846   -0.1024      177.1027  177.0262
 3     -2.5095   -2.4676     -139.2697 -139.3401        0.0872    0.1024
 4      0.0038    0.1024        0.0446    0.0000       -2.6177   -2.4676
 5    -37.7288  -37.6862        2.6464    2.4676        1.0636    1.0904
 6     -0.1167   -0.1024       -1.1040   -1.0904        0.0287    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0520    0.0000      -82.0659  -81.9886       48.7832   48.4471
 2     82.3806   81.9886       11.3093   11.5104      -25.2457  -25.4972
 3    -48.2149  -48.4471       11.4016   11.3321      -11.1888  -11.5104
 4    -11.4649  -11.5104       -0.0630    0.0000      -48.5422  -48.4471
 5     14.0991   14.1651       48.3406   48.4471      -81.9430  -81.9886
 6     11.4823   11.5104       82.0889   81.9886       -0.1270    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -24.0906  -24.1123      -10.8630  -10.8860      -61.9722  -62.1340
 2    -35.3965  -35.3604      -70.9795  -70.9787      -62.0278  -62.1340
 3    -35.3702  -35.3604      -10.8895  -10.8860     -112.9111 -113.0437
 4     60.3813   60.0927       11.4270   11.2481      -13.8874  -14.0287
 5    -50.6985  -50.9097        7.9521    7.9033      -11.0254  -11.2481
 6      6.1314    6.1255       50.5801   50.9097      -59.9978  -60.0927
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.3361   -0.0008   -0.0008   -0.0007    2.5083    3.8064
 Low frequencies ---   25.4144   35.9025   46.6889
 Diagonal vibrational polarizability:
       45.5261352      24.1615779       6.1822011
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     25.4009                35.8993                46.6858
 Red. masses --      3.4921                 6.1249                 4.4143
 Frc consts  --      0.0013                 0.0047                 0.0057
 IR Inten    --      0.2749                 0.9499                 0.7728
 RamAct Fr= 1--      0.2716                 0.9351                 1.5768
  Dep-P Fr= 1--      0.7411                 0.6967                 0.7447
  Dep-U Fr= 1--      0.8513                 0.8212                 0.8536
 Alpha2 Fr= 1--      0.0000                 0.0009                 0.0001
 Beta2  Fr= 1--      0.0385                 0.1280                 0.2243
 AlphaG Fr= 1--      0.0002                 0.0049                 0.0022
 Gamma2 Fr= 1--     -0.5739                 0.0121                 0.6727
 Delta2 Fr= 1--     -0.5989                 0.3399                 0.0711
 Raman1 Fr= 1--       1.086                  3.741                  6.307
 ROA1   Fr= 1--     -74.260                 12.039                 66.853
 CID1   Fr= 1--     -68.362                  3.218                 10.600
 Raman2 Fr= 1--       0.462                  1.536                  2.692
 ROA2   Fr= 1--      -8.982                 -2.429                 15.576
 CID2   Fr= 1--     -19.426                 -1.581                  5.786
 Raman3 Fr= 1--       0.925                  3.072                  5.384
 ROA3   Fr= 1--     -74.260                 12.039                 66.853
 CID3   Fr= 1--     -80.304                  3.919                 12.417
 RC180  Fr= 1--       0.703                  0.642                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.05    -0.00  -0.05  -0.01     0.02   0.06  -0.02
     2   6    -0.00   0.02  -0.06    -0.01  -0.07  -0.02    -0.00  -0.06  -0.03
     3   6     0.03  -0.01  -0.01    -0.00  -0.06  -0.01     0.03   0.07  -0.00
     4   6     0.01   0.05   0.01    -0.01  -0.08  -0.01     0.00  -0.04   0.00
     5   6    -0.02   0.10  -0.00    -0.01  -0.12  -0.01    -0.03  -0.18  -0.02
     6   6    -0.02   0.08  -0.04    -0.01  -0.11  -0.02    -0.03  -0.19  -0.03
     7   6    -0.01  -0.00  -0.10    -0.00   0.01  -0.02    -0.00  -0.00  -0.06
     8   6     0.02   0.02   0.06    -0.08   0.06   0.02    -0.07   0.06   0.04
     9   6     0.01   0.01  -0.02    -0.06   0.17   0.06    -0.08   0.14  -0.09
    10   6     0.10  -0.12   0.21    -0.18   0.03   0.04    -0.03  -0.07   0.16
    11   6     0.01   0.04   0.05     0.00  -0.00  -0.00     0.01   0.02   0.03
    12   6    -0.04  -0.02  -0.04     0.08   0.03  -0.00     0.08   0.03  -0.01
    13   8    -0.11  -0.13  -0.03    -0.14   0.01   0.07     0.27   0.05  -0.07
    14   8    -0.00   0.06  -0.14     0.45   0.07  -0.10    -0.10   0.01   0.04
    15   1     0.04  -0.08  -0.07     0.01  -0.03  -0.02     0.04   0.15  -0.02
    16   1     0.05  -0.05  -0.00     0.01  -0.03  -0.01     0.05   0.17   0.01
    17   1    -0.04   0.14   0.02    -0.02  -0.14  -0.01    -0.05  -0.27  -0.01
    18   1    -0.04   0.12  -0.05    -0.02  -0.13  -0.02    -0.05  -0.29  -0.04
    19   1    -0.04   0.09  -0.19     0.04   0.05  -0.04     0.01   0.08  -0.13
    20   1    -0.00  -0.13  -0.16     0.02   0.01  -0.03     0.03  -0.06  -0.10
    21   1     0.00   0.16   0.13    -0.09   0.05   0.02    -0.15   0.14   0.11
    22   1    -0.04   0.12  -0.13     0.00   0.19   0.05    -0.11   0.24  -0.18
    23   1     0.03  -0.13  -0.10    -0.06   0.19   0.06    -0.00   0.06  -0.17
    24   1     0.03   0.03   0.09    -0.12   0.20   0.08    -0.13   0.19  -0.02
    25   1     0.12  -0.27   0.14    -0.18   0.04   0.04     0.05  -0.15   0.09
    26   1     0.11  -0.11   0.27    -0.19  -0.03   0.01    -0.02  -0.12   0.25
    27   1     0.12  -0.11   0.32    -0.22   0.06   0.06    -0.07  -0.03   0.22
    28   1     0.04   0.12   0.05     0.01   0.02  -0.00     0.03   0.06   0.03
    29   6     0.02  -0.03   0.17    -0.07   0.04   0.01    -0.06   0.05   0.06
    30   1    -0.04   0.01  -0.20     0.48   0.08  -0.10    -0.04   0.02   0.01
    31   1    -0.00  -0.11   0.17    -0.08   0.00   0.02    -0.10   0.02   0.06
    32   1     0.02  -0.04   0.19    -0.07   0.11   0.01    -0.06   0.10   0.09
    33   1     0.05   0.02   0.24    -0.14   0.02   0.03    -0.10   0.04   0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --     53.2514                63.8777               113.7648
 Red. masses --      3.7305                 3.2120                 4.4565
 Frc consts  --      0.0062                 0.0077                 0.0340
 IR Inten    --      0.4958                 0.0398                 0.0880
 RamAct Fr= 1--      3.2965                 2.0433                 2.4494
  Dep-P Fr= 1--      0.7292                 0.7411                 0.7205
  Dep-U Fr= 1--      0.8434                 0.8513                 0.8375
 Alpha2 Fr= 1--      0.0012                 0.0003                 0.0012
 Beta2  Fr= 1--      0.4634                 0.2899                 0.3419
 AlphaG Fr= 1--     -0.0001                 0.0002                -0.0031
 Gamma2 Fr= 1--      0.7382                -0.9521                 1.1328
 Delta2 Fr= 1--      0.8736                -0.5726                 0.7062
 Raman1 Fr= 1--      13.186                  8.173                  9.798
 ROA1   Fr= 1--      98.827               -109.722                131.348
 CID1   Fr= 1--       7.495                -13.425                 13.406
 Raman2 Fr= 1--       5.561                  3.479                  4.103
 ROA2   Fr= 1--      10.728                -18.269                 21.538
 CID2   Fr= 1--       1.929                 -5.251                  5.249
 Raman3 Fr= 1--      11.121                  6.958                  8.206
 ROA3   Fr= 1--      98.827               -109.722                131.348
 CID3   Fr= 1--       8.886                -15.769                 16.006
 RC180  Fr= 1--       0.687                  0.703                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.19   0.03     0.05   0.12  -0.08    -0.04   0.06  -0.03
     2   6    -0.01   0.06   0.03     0.01   0.01  -0.10    -0.06   0.15  -0.04
     3   6    -0.03   0.16  -0.00     0.05   0.13  -0.05    -0.05  -0.07  -0.00
     4   6    -0.02  -0.01  -0.03     0.01   0.02  -0.04    -0.08  -0.11   0.01
     5   6    -0.01  -0.11  -0.02    -0.02  -0.07  -0.06    -0.10  -0.02   0.00
     6   6    -0.00  -0.08   0.01    -0.03  -0.08  -0.09    -0.09   0.12  -0.02
     7   6    -0.01   0.03   0.04     0.01  -0.02  -0.11    -0.06   0.13  -0.05
     8   6     0.03   0.01   0.04     0.06  -0.02   0.01     0.07   0.07  -0.01
     9   6    -0.00  -0.06  -0.11     0.10  -0.04   0.24     0.06  -0.11   0.07
    10   6     0.19  -0.03   0.11    -0.09  -0.02  -0.02     0.14   0.09  -0.01
    11   6    -0.03  -0.06  -0.06     0.02   0.01   0.02    -0.08  -0.08   0.04
    12   6    -0.05  -0.03   0.02    -0.03  -0.00   0.04     0.07  -0.05   0.00
    13   8    -0.16   0.02   0.06    -0.07   0.00   0.06     0.19  -0.03  -0.04
    14   8     0.08  -0.05   0.04    -0.05  -0.01   0.06     0.12  -0.06  -0.00
    15   1    -0.03   0.30   0.05     0.07   0.19  -0.09    -0.02   0.07  -0.05
    16   1    -0.04   0.25  -0.00     0.08   0.21  -0.03    -0.04  -0.13   0.00
    17   1    -0.00  -0.22  -0.04    -0.05  -0.15  -0.05    -0.13  -0.03   0.02
    18   1     0.01  -0.17   0.01    -0.06  -0.16  -0.11    -0.11   0.18  -0.03
    19   1    -0.03   0.03   0.04    -0.00   0.04  -0.16    -0.10   0.13  -0.06
    20   1    -0.02   0.02   0.04    -0.02  -0.10  -0.13    -0.09   0.07  -0.06
    21   1    -0.03   0.08   0.10     0.20  -0.00  -0.06     0.16   0.12  -0.03
    22   1    -0.12  -0.01  -0.18     0.22  -0.06   0.28     0.03  -0.12   0.08
    23   1     0.05  -0.15  -0.19    -0.05  -0.03   0.33    -0.04  -0.18   0.10
    24   1     0.03  -0.07  -0.09     0.15  -0.05   0.30     0.20  -0.17   0.12
    25   1     0.29  -0.09   0.04    -0.27  -0.05   0.06     0.06   0.03   0.00
    26   1     0.22   0.00   0.24    -0.11   0.04  -0.20     0.15   0.20  -0.06
    27   1     0.20  -0.04   0.10     0.01  -0.04   0.07     0.25   0.03   0.01
    28   1    -0.06  -0.13  -0.06     0.06  -0.00   0.03    -0.06  -0.05   0.04
    29   6     0.01  -0.03  -0.15     0.01  -0.00   0.05    -0.18  -0.04   0.07
    30   1     0.06  -0.03   0.09    -0.09  -0.01   0.07     0.26  -0.03  -0.03
    31   1     0.02   0.04  -0.15    -0.05   0.00   0.04    -0.19  -0.08   0.07
    32   1     0.01  -0.06  -0.16     0.01  -0.02   0.10    -0.17   0.06   0.07
    33   1     0.02  -0.06  -0.20     0.05  -0.00   0.03    -0.26  -0.06   0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    152.6235               208.2750               224.7085
 Red. masses --      3.8044                 2.3701                 1.2073
 Frc consts  --      0.0522                 0.0606                 0.0359
 IR Inten    --      0.0890                 0.5985                 0.4957
 RamAct Fr= 1--      0.7012                 0.2632                 0.0568
  Dep-P Fr= 1--      0.1296                 0.1850                 0.7019
  Dep-U Fr= 1--      0.2295                 0.3122                 0.8248
 Alpha2 Fr= 1--      0.0114                 0.0037                 0.0000
 Beta2  Fr= 1--      0.0268                 0.0137                 0.0078
 AlphaG Fr= 1--      0.0031                -0.0053                -0.0004
 Gamma2 Fr= 1--      0.0798                -0.3331                 0.0835
 Delta2 Fr= 1--     -0.0551                -0.0427                 0.0543
 Raman1 Fr= 1--       2.805                  1.053                  0.227
 ROA1   Fr= 1--       5.903                -33.342                  9.755
 CID1   Fr= 1--       2.105                -31.673                 42.967
 Raman2 Fr= 1--       0.322                  0.164                  0.094
 ROA2   Fr= 1--       2.357                 -7.653                  1.570
 CID2   Fr= 1--       7.324                -46.568                 16.768
 Raman3 Fr= 1--       0.644                  0.329                  0.187
 ROA3   Fr= 1--       5.903                -33.342                  9.755
 CID3   Fr= 1--       9.171               -101.450                 52.093
 RC180  Fr= 1--      -0.541                 -0.376                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.10   0.03    -0.04   0.05  -0.02    -0.01   0.03  -0.01
     2   6    -0.05   0.03  -0.00    -0.01   0.01  -0.00     0.01   0.01   0.00
     3   6     0.02   0.13   0.09    -0.04   0.07  -0.08    -0.01   0.03  -0.02
     4   6    -0.01   0.08   0.10     0.01   0.04  -0.11     0.00   0.00  -0.03
     5   6    -0.06   0.11   0.08     0.04   0.07  -0.09     0.02   0.02  -0.03
     6   6    -0.07   0.09   0.03     0.04   0.06  -0.04     0.02   0.03  -0.01
     7   6    -0.08  -0.05  -0.10    -0.01  -0.04   0.09     0.00  -0.02   0.02
     8   6    -0.07  -0.04  -0.04    -0.04  -0.04   0.04    -0.00  -0.02   0.01
     9   6    -0.07  -0.03  -0.00    -0.05  -0.02  -0.01    -0.00   0.01  -0.02
    10   6    -0.13  -0.10   0.00    -0.04  -0.02   0.01    -0.02  -0.03   0.01
    11   6    -0.01  -0.04   0.03     0.02  -0.02  -0.03     0.00  -0.01  -0.02
    12   6     0.05  -0.04   0.00     0.01  -0.02  -0.00     0.00  -0.01  -0.01
    13   8     0.13  -0.04  -0.02     0.05   0.04  -0.01    -0.00   0.03  -0.00
    14   8     0.10  -0.04  -0.01     0.06  -0.07   0.05     0.01  -0.04   0.03
    15   1     0.05   0.10   0.00    -0.07   0.06  -0.00    -0.02   0.04   0.00
    16   1     0.05   0.14   0.10    -0.08   0.09  -0.10    -0.02   0.04  -0.03
    17   1    -0.10   0.12   0.11     0.06   0.09  -0.11     0.03   0.03  -0.03
    18   1    -0.10   0.08   0.01     0.09   0.06  -0.02     0.04   0.04  -0.00
    19   1    -0.16   0.00  -0.17     0.03  -0.09   0.16     0.00  -0.03   0.03
    20   1    -0.03  -0.13  -0.16    -0.07   0.03   0.15    -0.01  -0.01   0.03
    21   1    -0.05  -0.01  -0.03    -0.08  -0.08   0.04    -0.02  -0.03   0.01
    22   1    -0.05  -0.01  -0.02    -0.07  -0.04   0.00     0.00  -0.10   0.09
    23   1    -0.09  -0.05  -0.00    -0.00   0.03  -0.02     0.06   0.18   0.03
    24   1    -0.07  -0.02   0.03    -0.08  -0.01  -0.07    -0.07   0.00  -0.18
    25   1    -0.24  -0.18   0.03     0.07   0.06  -0.01    -0.08  -0.06   0.02
    26   1    -0.14  -0.05  -0.09    -0.05  -0.11   0.09    -0.02   0.01  -0.04
    27   1    -0.05  -0.11   0.11    -0.15   0.02  -0.06     0.03  -0.04   0.05
    28   1    -0.12  -0.10   0.01     0.11   0.02  -0.01     0.02   0.02  -0.02
    29   6     0.18  -0.08  -0.12     0.00  -0.09   0.14    -0.02  -0.03   0.05
    30   1     0.20  -0.02  -0.04     0.13  -0.02   0.08     0.01  -0.02   0.06
    31   1     0.32  -0.00  -0.10    -0.37   0.01   0.07     0.36  -0.39   0.13
    32   1     0.15  -0.22  -0.25     0.04  -0.29   0.54    -0.06   0.24  -0.38
    33   1     0.23  -0.07  -0.13     0.32  -0.06  -0.04    -0.38   0.04   0.45
                     10                     11                     12
                      A                      A                      A
 Frequencies --    226.3691               249.3045               251.4715
 Red. masses --      1.0858                 2.2589                 1.2286
 Frc consts  --      0.0328                 0.0827                 0.0458
 IR Inten    --      0.0944                 0.3138                 0.0769
 RamAct Fr= 1--      0.1611                 1.8402                 0.1418
  Dep-P Fr= 1--      0.6906                 0.5128                 0.4861
  Dep-U Fr= 1--      0.8170                 0.6780                 0.6542
 Alpha2 Fr= 1--      0.0002                 0.0085                 0.0007
 Beta2  Fr= 1--      0.0219                 0.2079                 0.0155
 AlphaG Fr= 1--     -0.0014                 0.0074                 0.0076
 Gamma2 Fr= 1--     -0.1454                 0.2727                -0.2737
 Delta2 Fr= 1--     -0.0601                -0.0331                 0.0216
 Raman1 Fr= 1--       0.644                  7.361                  0.567
 ROA1   Fr= 1--     -15.879                 25.123                -25.586
 CID1   Fr= 1--     -24.645                  3.413                -45.119
 Raman2 Fr= 1--       0.263                  2.495                  0.185
 ROA2   Fr= 1--      -3.009                  6.810                 -6.743
 CID2   Fr= 1--     -11.432                  2.729                -36.351
 Raman3 Fr= 1--       0.526                  4.990                  0.371
 ROA3   Fr= 1--     -15.879                 25.123                -25.586
 CID3   Fr= 1--     -30.165                  5.034                -68.972
 RC180  Fr= 1--       0.634                  0.356                  0.308
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.01    -0.03  -0.08  -0.02    -0.01  -0.02  -0.03
     2   6     0.01   0.01   0.01    -0.04  -0.03  -0.02    -0.02  -0.02  -0.04
     3   6    -0.00  -0.01   0.01    -0.02  -0.05  -0.01    -0.00  -0.01   0.00
     4   6    -0.00  -0.01   0.00     0.00   0.03  -0.01    -0.01   0.02   0.02
     5   6     0.00  -0.00   0.01    -0.02  -0.05  -0.03    -0.04  -0.01   0.00
     6   6     0.01   0.01   0.01    -0.03  -0.09  -0.03    -0.04  -0.03  -0.03
     7   6     0.01  -0.01  -0.01    -0.04   0.07   0.02    -0.02   0.00  -0.02
     8   6     0.01  -0.01  -0.00    -0.04   0.07   0.03     0.00   0.00   0.02
     9   6     0.01   0.03  -0.03    -0.07  -0.07   0.00     0.01   0.01   0.04
    10   6     0.01  -0.03   0.02     0.05   0.10   0.02     0.05   0.02   0.01
    11   6    -0.01  -0.01   0.00     0.02   0.04  -0.01    -0.01   0.01   0.02
    12   6    -0.00  -0.00  -0.00    -0.00   0.04  -0.01    -0.00   0.01   0.01
    13   8    -0.00  -0.01  -0.00    -0.00   0.08  -0.01     0.01   0.00   0.00
    14   8    -0.00   0.00  -0.01     0.01   0.02   0.01     0.00   0.02  -0.00
    15   1    -0.00   0.01   0.01    -0.02  -0.11  -0.03     0.01  -0.04  -0.04
    16   1    -0.00  -0.01   0.01    -0.03  -0.06  -0.02     0.02  -0.01   0.01
    17   1     0.01  -0.00   0.00    -0.03  -0.05  -0.02    -0.06  -0.01   0.02
    18   1     0.01   0.01   0.01    -0.02  -0.12  -0.03    -0.07  -0.04  -0.04
    19   1    -0.02   0.00  -0.02     0.02   0.08   0.02    -0.00   0.03  -0.03
    20   1     0.02  -0.03  -0.02    -0.04   0.09   0.02    -0.04  -0.03  -0.02
    21   1     0.00   0.00   0.00    -0.03   0.09   0.03     0.00   0.01   0.02
    22   1     0.03  -0.27   0.24    -0.17  -0.11   0.02     0.04  -0.28   0.29
    23   1     0.12   0.44   0.09    -0.10  -0.11   0.00     0.06   0.37   0.17
    24   1    -0.11  -0.02  -0.43     0.03  -0.13  -0.03    -0.07  -0.05  -0.31
    25   1    -0.27  -0.20   0.08    -0.25  -0.06   0.10     0.42   0.20  -0.09
    26   1     0.01   0.19  -0.19     0.07   0.43  -0.19     0.06  -0.22   0.31
    27   1     0.28  -0.12   0.19     0.40  -0.04   0.14    -0.25   0.12  -0.19
    28   1    -0.00  -0.01   0.00     0.02   0.06  -0.01    -0.03  -0.00   0.01
    29   6    -0.03   0.02  -0.01     0.17  -0.07   0.05     0.05  -0.02  -0.01
    30   1    -0.01  -0.00  -0.02     0.01   0.03   0.03     0.02   0.01  -0.02
    31   1    -0.19   0.14  -0.05     0.26  -0.17   0.07     0.10  -0.01  -0.00
    32   1    -0.02  -0.04   0.15     0.15  -0.20  -0.03     0.04  -0.07  -0.05
    33   1     0.07  -0.02  -0.16     0.26   0.02   0.17     0.08   0.00   0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    289.0495               322.6360               354.2302
 Red. masses --      3.7526                 2.6800                 3.3376
 Frc consts  --      0.1847                 0.1644                 0.2468
 IR Inten    --      1.5181                 0.2158                 1.2678
 RamAct Fr= 1--      1.6962                 0.4331                 2.5642
  Dep-P Fr= 1--      0.1198                 0.5313                 0.5301
  Dep-U Fr= 1--      0.2139                 0.6939                 0.6929
 Alpha2 Fr= 1--      0.0283                 0.0018                 0.0109
 Beta2  Fr= 1--      0.0605                 0.0501                 0.2961
 AlphaG Fr= 1--      0.0094                -0.0046                -0.0178
 Gamma2 Fr= 1--     -0.2063                -0.1366                 0.3367
 Delta2 Fr= 1--     -0.2631                -0.1038                 0.0694
 Raman1 Fr= 1--       6.785                  1.733                 10.257
 ROA1   Fr= 1--     -28.223                -16.435                 34.545
 CID1   Fr= 1--      -4.160                 -9.486                  3.368
 Raman2 Fr= 1--       0.726                  0.601                  3.553
 ROA2   Fr= 1--      -2.847                 -2.448                  7.525
 CID2   Fr= 1--      -3.923                 -4.072                  2.118
 Raman3 Fr= 1--       1.452                  1.202                  7.107
 ROA3   Fr= 1--     -28.223                -16.435                 34.545
 CID3   Fr= 1--     -19.444                -13.670                  4.861
 RC180  Fr= 1--      -0.572                  0.388                  0.386
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.06    -0.06  -0.03  -0.07    -0.03   0.07  -0.00
     2   6     0.01   0.00   0.06    -0.04  -0.05  -0.06    -0.01   0.19   0.01
     3   6    -0.05  -0.02   0.05    -0.05   0.04  -0.04    -0.04  -0.12  -0.03
     4   6    -0.07   0.00   0.05    -0.06   0.06  -0.02    -0.01  -0.12  -0.03
     5   6    -0.04  -0.03   0.08    -0.07   0.04  -0.03    -0.03  -0.15  -0.04
     6   6    -0.03  -0.03   0.08    -0.06  -0.03  -0.06    -0.00   0.08  -0.01
     7   6     0.03  -0.03  -0.08     0.02  -0.06   0.12    -0.01   0.08   0.08
     8   6     0.10  -0.03  -0.07     0.05  -0.08   0.03     0.06  -0.01  -0.05
     9   6     0.15   0.14   0.00     0.09   0.14  -0.01     0.07  -0.02  -0.05
    10   6     0.05  -0.07  -0.05     0.08  -0.00  -0.04    -0.11  -0.14   0.02
    11   6    -0.09   0.01  -0.07    -0.06  -0.00   0.07     0.02   0.02   0.03
    12   6    -0.06   0.04  -0.10    -0.02  -0.01   0.08     0.02   0.05   0.05
    13   8    -0.05   0.21  -0.09     0.07  -0.09   0.04     0.01   0.00   0.05
    14   8     0.01  -0.05   0.01     0.01   0.06  -0.00    -0.03   0.13  -0.02
    15   1    -0.06  -0.03   0.07    -0.07  -0.04  -0.07    -0.03   0.08  -0.00
    16   1    -0.04  -0.04   0.06    -0.02   0.05  -0.03    -0.07  -0.18  -0.04
    17   1    -0.02  -0.05   0.06    -0.07   0.07  -0.02    -0.03  -0.25  -0.05
    18   1    -0.05  -0.04   0.07    -0.10  -0.05  -0.07     0.02   0.11  -0.01
    19   1    -0.08  -0.01  -0.13     0.14  -0.19   0.27    -0.02  -0.10   0.23
    20   1     0.10  -0.09  -0.13    -0.14   0.08   0.25    -0.10   0.23   0.18
    21   1     0.12  -0.02  -0.08     0.01  -0.14   0.02     0.07  -0.02  -0.06
    22   1     0.32   0.28  -0.08     0.22   0.33  -0.14     0.04  -0.04  -0.04
    23   1     0.14   0.11  -0.01     0.17   0.08  -0.08     0.09  -0.01  -0.06
    24   1     0.03   0.25   0.16    -0.09   0.28   0.16     0.07  -0.03  -0.09
    25   1     0.06  -0.09  -0.06    -0.07  -0.03   0.02    -0.10  -0.18  -0.01
    26   1     0.04  -0.13  -0.04     0.09   0.18  -0.15    -0.16  -0.38  -0.01
    27   1     0.01  -0.05  -0.01     0.27  -0.09  -0.04    -0.29  -0.01   0.17
    28   1    -0.16   0.10  -0.09    -0.03  -0.07   0.08     0.05  -0.01   0.04
    29   6     0.02  -0.14   0.08     0.03  -0.01  -0.03     0.12  -0.02   0.01
    30   1     0.10   0.02   0.09     0.11   0.03  -0.09    -0.09   0.06  -0.11
    31   1    -0.06  -0.23   0.06     0.15   0.04  -0.01     0.19  -0.01   0.02
    32   1     0.02  -0.31   0.17     0.01  -0.06  -0.15     0.10  -0.15  -0.06
    33   1     0.21  -0.04   0.14     0.02  -0.01  -0.03     0.21   0.02   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    384.3972               411.2754               419.7059
 Red. masses --      2.9772                 2.6923                 2.6777
 Frc consts  --      0.2592                 0.2683                 0.2779
 IR Inten    --      0.3760                 0.3163                 0.2616
 RamAct Fr= 1--      0.4126                 3.9311                 0.6975
  Dep-P Fr= 1--      0.1059                 0.1287                 0.1276
  Dep-U Fr= 1--      0.1915                 0.2280                 0.2264
 Alpha2 Fr= 1--      0.0071                 0.0641                 0.0114
 Beta2  Fr= 1--      0.0132                 0.1494                 0.0263
 AlphaG Fr= 1--      0.0114                 0.0593                -0.0525
 Gamma2 Fr= 1--      0.2344                 1.4540                -0.7076
 Delta2 Fr= 1--      0.0067                -0.1773                -0.1429
 Raman1 Fr= 1--       1.650                 15.724                  2.790
 ROA1   Fr= 1--      22.721                133.908                -72.498
 CID1   Fr= 1--      13.767                  8.516                -25.983
 Raman2 Fr= 1--       0.158                  1.793                  0.316
 ROA2   Fr= 1--       5.573                 36.313                -15.839
 CID2   Fr= 1--      35.270                 20.253                -50.147
 Raman3 Fr= 1--       0.316                  3.586                  0.632
 ROA3   Fr= 1--      22.721                133.908                -72.498
 CID3   Fr= 1--      71.895                 37.343               -114.770
 RC180  Fr= 1--      -0.617                 -0.544                 -0.547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.01   0.11     0.03  -0.00  -0.01    -0.04  -0.18   0.00
     2   6    -0.03   0.00   0.14    -0.04   0.05  -0.03     0.01  -0.02   0.03
     3   6    -0.12  -0.02  -0.07     0.05   0.02   0.04    -0.01   0.18  -0.01
     4   6    -0.01   0.03  -0.13     0.05  -0.10   0.02    -0.02   0.00  -0.03
     5   6     0.06   0.02  -0.10    -0.01  -0.11  -0.00    -0.01  -0.17  -0.03
     6   6     0.05  -0.05   0.08    -0.00   0.14  -0.03     0.03   0.17   0.04
     7   6    -0.05   0.00  -0.12    -0.07  -0.05   0.03     0.02  -0.04  -0.05
     8   6    -0.04   0.01  -0.09    -0.13  -0.08  -0.05     0.04  -0.01   0.08
     9   6    -0.01   0.05   0.06    -0.11   0.08   0.10     0.03  -0.02  -0.04
    10   6     0.07  -0.03  -0.04     0.11  -0.04  -0.05    -0.03   0.06   0.01
    11   6     0.03   0.01   0.00     0.08   0.01  -0.02    -0.03  -0.01   0.01
    12   6     0.01   0.00   0.08     0.06   0.01  -0.05    -0.02   0.01   0.03
    13   8     0.04  -0.09   0.06    -0.04   0.03  -0.01     0.02  -0.01   0.02
    14   8     0.00   0.06   0.01    -0.01  -0.02  -0.01    -0.00   0.03  -0.00
    15   1    -0.20   0.02   0.18     0.09  -0.04  -0.05    -0.09  -0.38   0.01
    16   1    -0.25  -0.05  -0.13     0.06   0.09   0.05    -0.01   0.39  -0.01
    17   1     0.15   0.02  -0.16    -0.07  -0.19   0.03     0.00  -0.36  -0.06
    18   1     0.18  -0.12   0.14     0.01   0.27  -0.02     0.06   0.36   0.06
    19   1    -0.28   0.12  -0.30    -0.05  -0.14   0.11    -0.06   0.11  -0.20
    20   1     0.15  -0.17  -0.29    -0.12   0.03   0.09     0.06  -0.23  -0.15
    21   1    -0.00   0.06  -0.09    -0.15  -0.10  -0.04     0.05   0.00   0.08
    22   1     0.15   0.07   0.08     0.15   0.15   0.09    -0.08  -0.01  -0.07
    23   1    -0.13   0.07   0.14    -0.21   0.12   0.17     0.14  -0.04  -0.11
    24   1    -0.02   0.08   0.15    -0.20   0.17   0.25     0.01  -0.02  -0.09
    25   1     0.16  -0.11  -0.11     0.19  -0.13  -0.12    -0.08   0.19   0.08
    26   1     0.10   0.03   0.08     0.18   0.20   0.11    -0.05   0.04  -0.09
    27   1     0.11  -0.05  -0.04     0.30  -0.16  -0.13    -0.06   0.06  -0.07
    28   1     0.13  -0.05   0.03     0.06   0.06  -0.03    -0.00  -0.04   0.01
    29   6     0.04   0.01   0.00     0.03   0.04   0.01     0.00  -0.02  -0.01
    30   1     0.01   0.02  -0.05    -0.18  -0.03   0.06     0.05   0.02  -0.05
    31   1     0.08  -0.01   0.01    -0.02   0.03   0.00     0.02  -0.02  -0.00
    32   1     0.03   0.01  -0.04     0.04   0.07   0.06    -0.00  -0.05  -0.03
    33   1     0.03   0.03   0.04     0.02   0.03  -0.00     0.02  -0.01   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    425.4188               452.0293               550.3265
 Red. masses --      2.3733                 3.6892                 2.5000
 Frc consts  --      0.2531                 0.4441                 0.4461
 IR Inten    --      1.1152                 6.1238                11.2799
 RamAct Fr= 1--      0.9729                 2.1397                 1.5179
  Dep-P Fr= 1--      0.6910                 0.1324                 0.2806
  Dep-U Fr= 1--      0.8173                 0.2339                 0.4382
 Alpha2 Fr= 1--      0.0010                 0.0346                 0.0165
 Beta2  Fr= 1--      0.1325                 0.0834                 0.1109
 AlphaG Fr= 1--      0.0088                -0.0245                 0.0110
 Gamma2 Fr= 1--      0.4420                 0.2254                 0.5352
 Delta2 Fr= 1--      0.0434                 0.2976                 0.2743
 Raman1 Fr= 1--       3.892                  8.559                  6.072
 ROA1   Fr= 1--      43.824                 31.161                 60.157
 CID1   Fr= 1--      11.261                  3.641                  9.908
 Raman2 Fr= 1--       1.590                  1.001                  1.330
 ROA2   Fr= 1--      10.262                  3.028                 10.650
 CID2   Fr= 1--       6.453                  3.026                  8.006
 Raman3 Fr= 1--       3.181                  2.002                  2.661
 ROA3   Fr= 1--      43.824                 31.161                 60.157
 CID3   Fr= 1--      13.778                 15.568                 22.611
 RC180  Fr= 1--       0.635                 -0.532                 -0.124
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.14   0.01     0.07   0.02  -0.03     0.05   0.03  -0.04
     2   6     0.00   0.03  -0.00     0.09  -0.09  -0.02     0.10   0.14   0.00
     3   6     0.01  -0.11  -0.01     0.06   0.04  -0.03     0.03  -0.07  -0.06
     4   6     0.00  -0.11  -0.01    -0.03  -0.06   0.00    -0.04   0.11   0.00
     5   6     0.00   0.02  -0.00     0.06   0.03   0.03     0.03  -0.07   0.01
     6   6     0.00   0.01  -0.01     0.07   0.02   0.02     0.06   0.02   0.02
     7   6    -0.02  -0.13  -0.04     0.09   0.00   0.00     0.06  -0.04   0.00
     8   6     0.01  -0.10   0.16    -0.08   0.05  -0.08    -0.04  -0.04   0.02
     9   6    -0.01   0.01  -0.02    -0.09  -0.02   0.05    -0.08  -0.00   0.02
    10   6    -0.00   0.10  -0.00     0.03  -0.02  -0.00     0.00  -0.01  -0.01
    11   6     0.01  -0.03  -0.01    -0.12  -0.11   0.01    -0.11   0.06   0.07
    12   6     0.01   0.03   0.02    -0.08   0.03   0.09    -0.15  -0.01   0.00
    13   8    -0.00   0.04   0.02     0.04   0.08   0.06     0.01  -0.02  -0.06
    14   8    -0.02   0.08  -0.03    -0.04   0.19  -0.07    -0.00  -0.06   0.03
    15   1     0.05   0.25   0.01     0.05   0.10  -0.01    -0.00  -0.14  -0.03
    16   1     0.00  -0.18  -0.01     0.12   0.12   0.00     0.06  -0.29  -0.05
    17   1     0.01   0.09   0.00     0.10   0.11   0.01     0.07  -0.29  -0.05
    18   1     0.00  -0.01  -0.01     0.04   0.13   0.01     0.01  -0.16  -0.00
    19   1    -0.15   0.08  -0.26     0.19  -0.06   0.09    -0.01  -0.00  -0.05
    20   1    -0.02  -0.45  -0.18     0.13   0.17   0.06     0.06  -0.09  -0.03
    21   1    -0.03  -0.12   0.17    -0.10   0.04  -0.07    -0.09  -0.07   0.03
    22   1    -0.09   0.09  -0.11    -0.03  -0.08   0.12    -0.06  -0.00   0.03
    23   1     0.18  -0.00  -0.14    -0.27  -0.02   0.15    -0.10  -0.01   0.03
    24   1    -0.15   0.08  -0.05     0.03  -0.07   0.09    -0.08   0.00   0.04
    25   1    -0.06   0.35   0.12     0.09  -0.17  -0.09     0.03   0.01  -0.01
    26   1    -0.00   0.20  -0.11     0.06   0.05   0.12     0.03   0.07   0.03
    27   1     0.05   0.01  -0.25     0.10  -0.04   0.06     0.06  -0.05  -0.08
    28   1     0.01  -0.04  -0.00    -0.10  -0.23   0.02    -0.07   0.07   0.08
    29   6     0.01  -0.05  -0.00    -0.09  -0.20  -0.04     0.01   0.05   0.01
    30   1    -0.09   0.02  -0.09     0.13   0.08  -0.34     0.69   0.12  -0.04
    31   1     0.02  -0.06   0.00    -0.05  -0.23  -0.03     0.12   0.15   0.02
    32   1     0.01  -0.09  -0.00    -0.10  -0.27  -0.06    -0.01  -0.04  -0.10
    33   1     0.05  -0.02   0.01    -0.04  -0.16   0.01     0.04   0.04  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    566.9020               619.7191               642.5741
 Red. masses --      2.7556                 1.7097                 3.0593
 Frc consts  --      0.5218                 0.3869                 0.7443
 IR Inten    --     35.9059                65.7143                27.2522
 RamAct Fr= 1--      0.2460                 1.1808                 3.3068
  Dep-P Fr= 1--      0.2521                 0.6984                 0.5913
  Dep-U Fr= 1--      0.4026                 0.8224                 0.7432
 Alpha2 Fr= 1--      0.0029                 0.0011                 0.0098
 Beta2  Fr= 1--      0.0165                 0.1618                 0.4096
 AlphaG Fr= 1--     -0.0086                 0.0077                -0.0128
 Gamma2 Fr= 1--     -0.0246                -1.7896                -0.2608
 Delta2 Fr= 1--     -0.1370                -0.2669                -0.2718
 Raman1 Fr= 1--       0.984                  4.723                 13.227
 ROA1   Fr= 1--      -6.748               -180.341                -33.734
 CID1   Fr= 1--      -6.857                -38.182                 -2.550
 Raman2 Fr= 1--       0.198                  1.942                  4.915
 ROA2   Fr= 1--       0.505                -40.815                 -4.084
 CID2   Fr= 1--       2.550                -21.015                 -0.831
 Raman3 Fr= 1--       0.396                  3.884                  9.830
 ROA3   Fr= 1--      -6.748               -180.341                -33.734
 CID3   Fr= 1--     -17.031                -46.427                 -3.432
 RC180  Fr= 1--      -0.195                  0.645                  0.486
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08   0.02     0.02  -0.02   0.06    -0.09   0.02  -0.05
     2   6    -0.04   0.17   0.00    -0.07  -0.05   0.01    -0.03  -0.03  -0.06
     3   6     0.05   0.01   0.06     0.03   0.01   0.03    -0.08  -0.01   0.13
     4   6     0.10   0.19   0.03     0.06  -0.06  -0.02     0.02  -0.03   0.06
     5   6     0.03   0.01  -0.01    -0.01   0.02  -0.05     0.10  -0.02   0.08
     6   6     0.00  -0.06  -0.05    -0.02  -0.01  -0.02     0.08   0.01  -0.10
     7   6    -0.09   0.03   0.02    -0.07   0.03   0.01    -0.03   0.00  -0.01
     8   6     0.00  -0.04   0.02     0.01   0.00  -0.00     0.00   0.01  -0.00
     9   6     0.00   0.01  -0.00     0.04   0.00  -0.01     0.01   0.00  -0.00
    10   6    -0.00  -0.02  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.06  -0.08  -0.07     0.07  -0.04   0.04     0.01   0.06  -0.17
    12   6     0.02  -0.02   0.04    -0.05  -0.05   0.02     0.02   0.10  -0.02
    13   8     0.02   0.03   0.05    -0.02   0.08   0.02    -0.02  -0.15  -0.03
    14   8    -0.01   0.05  -0.04    -0.07  -0.03  -0.04    -0.04   0.07   0.14
    15   1     0.07  -0.42  -0.05     0.06   0.09   0.04     0.00   0.09  -0.10
    16   1    -0.00  -0.27   0.03    -0.02   0.13   0.01    -0.03   0.06   0.15
    17   1    -0.06  -0.28   0.01    -0.03   0.13  -0.02     0.03   0.03   0.14
    18   1     0.01  -0.41  -0.06     0.06   0.09   0.01     0.04   0.09  -0.11
    19   1    -0.18   0.01   0.00    -0.06   0.00   0.03    -0.01   0.01  -0.02
    20   1    -0.15  -0.03   0.01    -0.08   0.04   0.01    -0.03  -0.01  -0.02
    21   1     0.01  -0.04   0.02     0.05   0.03  -0.01     0.02   0.02  -0.01
    22   1     0.03   0.05  -0.03     0.04   0.02  -0.02     0.01   0.00  -0.01
    23   1     0.07   0.03  -0.03     0.07   0.01  -0.02     0.02   0.00  -0.01
    24   1    -0.08   0.06   0.00     0.00   0.02  -0.01     0.01   0.00  -0.01
    25   1    -0.01   0.03   0.01    -0.01   0.00   0.01    -0.00   0.00   0.00
    26   1    -0.00  -0.01  -0.03    -0.01  -0.03  -0.02    -0.00  -0.01  -0.00
    27   1    -0.01  -0.03  -0.05    -0.02   0.02   0.02    -0.00   0.01   0.01
    28   1     0.03  -0.17  -0.07     0.12  -0.03   0.05    -0.05   0.01  -0.17
    29   6    -0.08  -0.10  -0.04     0.03   0.03   0.01    -0.02  -0.03  -0.03
    30   1    -0.08  -0.04  -0.16     0.80   0.04  -0.39     0.67   0.28   0.11
    31   1    -0.23  -0.23  -0.06     0.03   0.11   0.01    -0.16  -0.28  -0.04
    32   1    -0.05   0.08   0.09     0.03   0.13  -0.01    -0.00  -0.06   0.13
    33   1    -0.19  -0.11   0.02    -0.07  -0.04  -0.06     0.08   0.09   0.15
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.5971               720.8298               753.8120
 Red. masses --      5.1059                 3.1133                 3.9107
 Frc consts  --      1.3327                 0.9531                 1.3093
 IR Inten    --      7.8626                34.5756                 6.8429
 RamAct Fr= 1--      4.7127                 2.7879                 4.6439
  Dep-P Fr= 1--      0.5499                 0.0406                 0.0730
  Dep-U Fr= 1--      0.7096                 0.0781                 0.1361
 Alpha2 Fr= 1--      0.0180                 0.0563                 0.0868
 Beta2  Fr= 1--      0.5573                 0.0363                 0.1054
 AlphaG Fr= 1--     -0.0581                 0.0595                -0.0556
 Gamma2 Fr= 1--      0.4475                 0.8996                 0.4876
 Delta2 Fr= 1--      0.0236                 0.3161                -0.0861
 Raman1 Fr= 1--      18.851                 11.152                 18.576
 ROA1   Fr= 1--      43.715                 96.479                 44.050
 CID1   Fr= 1--       2.319                  8.652                  2.371
 Raman2 Fr= 1--       6.688                  0.435                  1.264
 ROA2   Fr= 1--      10.551                 19.062                 12.390
 CID2   Fr= 1--       1.578                 43.795                  9.800
 Raman3 Fr= 1--      13.376                  0.871                  2.529
 ROA3   Fr= 1--      43.715                 96.479                 44.050
 CID3   Fr= 1--       3.268                110.831                 17.421
 RC180  Fr= 1--       0.419                 -0.844                 -0.728
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.23  -0.03   0.15    -0.07   0.07  -0.05    -0.02  -0.13  -0.08
     2   6    -0.01  -0.02   0.08     0.07  -0.03  -0.01     0.08   0.23   0.01
     3   6     0.21  -0.01  -0.13    -0.08  -0.01  -0.04     0.01   0.14  -0.06
     4   6     0.01  -0.01  -0.07    -0.04   0.08   0.01    -0.08  -0.23  -0.01
     5   6    -0.21   0.03  -0.12    -0.11  -0.02   0.05     0.01   0.14   0.06
     6   6    -0.20   0.01   0.16    -0.10   0.06   0.09    -0.01  -0.14   0.04
     7   6    -0.02   0.01   0.02     0.17  -0.09  -0.01     0.04   0.07   0.02
     8   6     0.00  -0.01   0.01    -0.01   0.03  -0.02     0.01  -0.04   0.04
     9   6     0.01  -0.00  -0.00    -0.03   0.00   0.00    -0.07   0.00   0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.02   0.02     0.01  -0.05  -0.04
    11   6     0.00   0.05  -0.13     0.12  -0.02  -0.10    -0.01  -0.00   0.02
    12   6     0.02   0.11  -0.04     0.18  -0.04   0.00     0.16   0.02  -0.05
    13   8    -0.02  -0.13  -0.06    -0.03   0.02   0.10    -0.05  -0.00   0.02
    14   8    -0.01   0.08   0.13    -0.08  -0.03  -0.04    -0.05  -0.01   0.01
    15   1     0.20   0.02   0.18    -0.18  -0.08   0.01    -0.10  -0.33  -0.05
    16   1     0.13   0.04  -0.17    -0.10  -0.26  -0.05     0.10   0.37  -0.02
    17   1    -0.16   0.06  -0.15    -0.13  -0.25   0.03     0.09   0.34   0.03
    18   1    -0.11   0.03   0.20    -0.23  -0.07   0.02    -0.09  -0.35   0.00
    19   1     0.03  -0.06   0.10     0.23  -0.07  -0.00    -0.11   0.13  -0.08
    20   1    -0.06   0.10   0.08     0.19  -0.02   0.01     0.04  -0.07  -0.04
    21   1     0.01  -0.01   0.01    -0.08  -0.02  -0.01    -0.01  -0.07   0.04
    22   1     0.01   0.01  -0.01    -0.06  -0.06   0.04    -0.08   0.03  -0.00
    23   1     0.04   0.01  -0.01    -0.13  -0.04   0.04    -0.01   0.01  -0.01
    24   1    -0.02   0.01  -0.01     0.11  -0.07   0.01    -0.13   0.03   0.01
    25   1    -0.00   0.02   0.01     0.01  -0.02  -0.01    -0.00   0.01  -0.01
    26   1    -0.00  -0.00  -0.00     0.00   0.04   0.05     0.01  -0.04  -0.07
    27   1    -0.01  -0.00  -0.01     0.02   0.02   0.03     0.01  -0.07  -0.11
    28   1    -0.04  -0.00  -0.14     0.05  -0.03  -0.11    -0.04   0.11   0.01
    29   6    -0.04  -0.06  -0.05     0.03   0.02  -0.01     0.01   0.01   0.01
    30   1     0.31   0.25   0.26     0.35  -0.08  -0.36     0.23   0.02  -0.08
    31   1    -0.14  -0.28  -0.05    -0.15  -0.15  -0.03     0.10   0.07   0.02
    32   1    -0.02  -0.10   0.08     0.07   0.19   0.17    -0.01  -0.10  -0.05
    33   1     0.05   0.05   0.11    -0.03   0.04   0.09     0.09   0.03  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    806.5679               824.2282               837.4028
 Red. masses --      2.2204                 3.8277                 2.7921
 Frc consts  --      0.8511                 1.5321                 1.1536
 IR Inten    --      7.8586                10.5217                 0.9445
 RamAct Fr= 1--     33.7063                 0.8686                 8.0720
  Dep-P Fr= 1--      0.0624                 0.1611                 0.1055
  Dep-U Fr= 1--      0.1174                 0.2775                 0.1908
 Alpha2 Fr= 1--      0.6464                 0.0131                 0.1394
 Beta2  Fr= 1--      0.6595                 0.0402                 0.2568
 AlphaG Fr= 1--     -0.1841                 0.0011                 0.0683
 Gamma2 Fr= 1--     -0.8628                 0.3879                -1.9177
 Delta2 Fr= 1--     -0.0311                 0.0435                -2.2893
 Raman1 Fr= 1--     134.825                  3.475                 32.288
 ROA1   Fr= 1--     -83.829                 38.633               -257.360
 CID1   Fr= 1--      -0.622                 11.119                 -7.971
 Raman2 Fr= 1--       7.914                  0.482                  3.081
 ROA2   Fr= 1--     -20.459                  8.962                -27.711
 CID2   Fr= 1--      -2.585                 18.590                 -8.994
 Raman3 Fr= 1--      15.828                  0.964                  6.162
 ROA3   Fr= 1--     -83.829                 38.633               -257.360
 CID3   Fr= 1--      -5.296                 40.070                -41.765
 RC180  Fr= 1--      -0.765                 -0.445                 -0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.04     0.04   0.03  -0.03    -0.04   0.03   0.05
     2   6     0.02  -0.02  -0.01    -0.03  -0.12   0.00    -0.01  -0.06   0.00
     3   6     0.00  -0.06  -0.04     0.05  -0.02  -0.09    -0.04   0.02   0.07
     4   6    -0.01   0.09   0.01    -0.04   0.13   0.01     0.05   0.03   0.00
     5   6    -0.00  -0.06   0.05     0.08  -0.05   0.02    -0.05   0.01  -0.08
     6   6    -0.01  -0.03   0.05     0.08   0.02   0.03    -0.02   0.02  -0.07
     7   6     0.00   0.15   0.01    -0.16   0.07  -0.01     0.12   0.09   0.03
     8   6     0.03  -0.04   0.09    -0.01  -0.01   0.01     0.05   0.01   0.08
     9   6    -0.08  -0.00   0.04     0.03  -0.02   0.00    -0.10   0.02   0.04
    10   6     0.03  -0.10  -0.08     0.00  -0.01  -0.00     0.04  -0.10  -0.10
    11   6     0.01   0.03  -0.09    -0.13   0.04   0.10     0.06  -0.08   0.13
    12   6    -0.05  -0.04   0.06     0.31   0.02  -0.07     0.04   0.05  -0.08
    13   8     0.03   0.01   0.05    -0.07   0.00   0.07    -0.04  -0.00  -0.08
    14   8     0.01  -0.03  -0.04    -0.07  -0.04  -0.00    -0.01   0.06   0.05
    15   1     0.02   0.43   0.00     0.04   0.15  -0.02    -0.04  -0.03   0.04
    16   1     0.08   0.28   0.00     0.10  -0.21  -0.07    -0.15  -0.21   0.01
    17   1     0.04   0.18   0.05     0.18  -0.17  -0.07    -0.13  -0.10  -0.04
    18   1    -0.03   0.37   0.05     0.14   0.17   0.06     0.01   0.03  -0.06
    19   1    -0.01   0.25  -0.08    -0.12   0.03   0.03     0.16   0.27  -0.12
    20   1     0.02   0.01  -0.06    -0.17   0.10   0.01     0.21  -0.06  -0.08
    21   1     0.10  -0.00   0.07     0.10   0.07  -0.01     0.05  -0.01   0.06
    22   1    -0.15   0.07  -0.04     0.07   0.05  -0.05    -0.24   0.03   0.00
    23   1     0.12   0.03  -0.06     0.16   0.04  -0.05     0.01  -0.01  -0.03
    24   1    -0.26   0.08  -0.01    -0.12   0.06  -0.01    -0.13   0.01  -0.02
    25   1    -0.02   0.02  -0.01    -0.01   0.02   0.01    -0.03  -0.03  -0.04
    26   1     0.01  -0.13  -0.20    -0.00  -0.02  -0.02     0.01  -0.19  -0.22
    27   1    -0.01  -0.11  -0.18    -0.01  -0.01  -0.02    -0.02  -0.08  -0.11
    28   1    -0.02  -0.07  -0.09    -0.20   0.30   0.06     0.11   0.04   0.13
    29   6     0.02   0.03  -0.02    -0.08  -0.06  -0.01    -0.02  -0.09   0.01
    30   1    -0.06  -0.11  -0.13     0.16  -0.05  -0.14     0.07   0.17   0.20
    31   1    -0.11  -0.16  -0.03     0.16   0.12   0.02     0.06   0.22   0.01
    32   1     0.04   0.09   0.13    -0.13  -0.34  -0.22    -0.03   0.06  -0.13
    33   1     0.03   0.11   0.13     0.09  -0.04  -0.09    -0.22  -0.30  -0.25
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.4038               859.0010               871.7889
 Red. masses --      1.2812                 3.2901                 1.8123
 Frc consts  --      0.5498                 1.4304                 0.8115
 IR Inten    --      0.3818                 4.0551                17.8802
 RamAct Fr= 1--      1.5823                12.0295                 5.9761
  Dep-P Fr= 1--      0.2504                 0.2114                 0.0856
  Dep-U Fr= 1--      0.4006                 0.3490                 0.1577
 Alpha2 Fr= 1--      0.0187                 0.1585                 0.1084
 Beta2  Fr= 1--      0.1056                 0.6997                 0.1571
 AlphaG Fr= 1--     -0.0441                -0.0829                -0.0909
 Gamma2 Fr= 1--      0.1951                 1.8279                 0.1009
 Delta2 Fr= 1--      0.0306                 0.3170                 0.6584
 Raman1 Fr= 1--       6.329                 48.118                 23.904
 ROA1   Fr= 1--      19.704                185.618                 30.757
 CID1   Fr= 1--       3.113                  3.858                  1.287
 Raman2 Fr= 1--       1.268                  8.396                  1.885
 ROA2   Fr= 1--       4.437                 41.333                 -2.845
 CID2   Fr= 1--       3.500                  4.923                 -1.509
 Raman3 Fr= 1--       2.535                 16.792                  3.770
 ROA3   Fr= 1--      19.704                185.618                 30.757
 CID3   Fr= 1--       7.772                 11.054                  8.159
 RC180  Fr= 1--      -0.199                 -0.302                 -0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.00    -0.06   0.01  -0.15    -0.02  -0.05  -0.01
     2   6    -0.00   0.01   0.00     0.02  -0.04  -0.01     0.02   0.12   0.01
     3   6    -0.01  -0.09   0.00     0.01   0.00  -0.16    -0.01  -0.05   0.00
     4   6     0.01   0.02   0.00    -0.03   0.01   0.00     0.02   0.10   0.01
     5   6    -0.00   0.06  -0.01     0.05   0.00   0.16    -0.02  -0.08  -0.02
     6   6     0.01   0.07  -0.01    -0.01   0.00   0.17    -0.02  -0.09  -0.02
     7   6     0.02  -0.01   0.02    -0.12   0.03  -0.02     0.04  -0.06   0.03
     8   6    -0.00   0.00  -0.01    -0.02  -0.02  -0.01    -0.02  -0.01  -0.04
     9   6     0.00   0.00  -0.01     0.04  -0.02  -0.01     0.03   0.00  -0.03
    10   6    -0.00   0.01   0.00    -0.01   0.02   0.03    -0.02   0.05   0.04
    11   6    -0.00   0.00   0.02     0.16  -0.12   0.05     0.03  -0.01   0.05
    12   6     0.02   0.00  -0.01    -0.07   0.03  -0.05     0.04   0.01  -0.03
    13   8    -0.01   0.00  -0.00    -0.01   0.00  -0.09    -0.02   0.00  -0.01
    14   8    -0.00   0.00   0.00     0.01   0.07   0.05    -0.01   0.01   0.02
    15   1     0.05   0.51   0.04    -0.16   0.11  -0.07     0.00   0.25   0.01
    16   1     0.04   0.55   0.04     0.11  -0.02  -0.11     0.02   0.29   0.02
    17   1    -0.06  -0.41  -0.04     0.16  -0.17   0.08     0.01   0.49   0.03
    18   1    -0.04  -0.45  -0.04    -0.13  -0.04   0.12     0.04   0.53   0.01
    19   1    -0.02   0.02  -0.02    -0.11  -0.06   0.06    -0.12  -0.04  -0.04
    20   1     0.03  -0.07  -0.01    -0.18   0.11   0.04     0.06  -0.17  -0.02
    21   1    -0.04  -0.03  -0.00     0.06   0.05  -0.02    -0.14  -0.10  -0.02
    22   1     0.02  -0.02   0.01     0.11   0.03  -0.04     0.11  -0.06   0.04
    23   1    -0.04  -0.01   0.02     0.12   0.03  -0.03    -0.15  -0.01   0.06
    24   1     0.05  -0.01   0.01    -0.08   0.05  -0.00     0.15  -0.04   0.04
    25   1     0.00  -0.02  -0.01     0.01   0.04   0.02     0.02  -0.03  -0.01
    26   1    -0.00   0.00   0.01    -0.00   0.06   0.05    -0.00   0.08   0.12
    27   1    -0.00   0.02   0.03     0.00   0.00  -0.01     0.02   0.04   0.09
    28   1    -0.01   0.01   0.02     0.23  -0.16   0.07     0.03   0.05   0.04
    29   6    -0.01  -0.01  -0.00     0.05  -0.05   0.02    -0.02  -0.06  -0.01
    30   1     0.01   0.01   0.01     0.03   0.17   0.20     0.03   0.04   0.04
    31   1     0.01   0.02  -0.00    -0.08   0.13  -0.02    -0.01   0.07  -0.01
    32   1    -0.01  -0.01  -0.03     0.09   0.36   0.07    -0.02   0.04  -0.05
    33   1    -0.02  -0.03  -0.03    -0.30  -0.28  -0.18    -0.13  -0.16  -0.12
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.7766               936.2515               954.2213
 Red. masses --      1.5184                 1.1970                 1.6965
 Frc consts  --      0.7211                 0.6182                 0.9101
 IR Inten    --      1.9933                 1.8886                 0.3227
 RamAct Fr= 1--      2.6931                 1.1192                 5.4735
  Dep-P Fr= 1--      0.7362                 0.4827                 0.7382
  Dep-U Fr= 1--      0.8480                 0.6511                 0.8494
 Alpha2 Fr= 1--      0.0006                 0.0060                 0.0011
 Beta2  Fr= 1--      0.3806                 0.1215                 0.7748
 AlphaG Fr= 1--      0.0042                 0.0281                -0.0012
 Gamma2 Fr= 1--     -0.9004                -0.2328                -2.2322
 Delta2 Fr= 1--     -0.0041                -0.6122                -0.1504
 Raman1 Fr= 1--      10.772                  4.477                 21.894
 ROA1   Fr= 1--     -86.569                -41.939               -219.107
 CID1   Fr= 1--      -8.036                 -9.368                -10.008
 Raman2 Fr= 1--       4.568                  1.457                  9.298
 ROA2   Fr= 1--     -21.577                 -0.689                -52.371
 CID2   Fr= 1--      -4.724                 -0.473                 -5.632
 Raman3 Fr= 1--       9.135                  2.915                 18.596
 ROA3   Fr= 1--     -86.569                -41.939               -219.107
 CID3   Fr= 1--      -9.476                -14.388                -11.782
 RC180  Fr= 1--       0.696                  0.302                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.04    -0.00   0.00   0.01     0.01   0.08   0.00
     2   6    -0.01  -0.05   0.01     0.01   0.01  -0.00    -0.02   0.00  -0.00
     3   6     0.04   0.02  -0.04    -0.01  -0.01   0.01     0.00  -0.09  -0.03
     4   6    -0.01  -0.02   0.01     0.00   0.00  -0.00     0.00   0.02  -0.00
     5   6    -0.00   0.00   0.02    -0.00  -0.00  -0.01     0.02  -0.01   0.02
     6   6    -0.00   0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.01   0.02
     7   6    -0.04   0.01   0.16     0.02   0.01  -0.01    -0.06  -0.10  -0.01
     8   6    -0.01   0.05  -0.00    -0.04  -0.00   0.01     0.08   0.08   0.01
     9   6     0.03   0.01  -0.02     0.05  -0.00   0.07    -0.06   0.07   0.04
    10   6     0.01   0.02  -0.06    -0.08   0.02  -0.03     0.05  -0.01  -0.05
    11   6    -0.00  -0.00  -0.01     0.00   0.00   0.00     0.01   0.01   0.00
    12   6    -0.01  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.05  -0.06    -0.00  -0.02   0.01    -0.05  -0.49  -0.04
    16   1     0.08  -0.15  -0.02    -0.01   0.05   0.01     0.07   0.52   0.01
    17   1    -0.02  -0.04   0.03    -0.01   0.01  -0.00     0.05   0.07   0.01
    18   1    -0.03  -0.02  -0.03    -0.00  -0.00  -0.00     0.01  -0.01   0.03
    19   1    -0.24   0.39  -0.24     0.05   0.02  -0.01    -0.02  -0.17   0.07
    20   1     0.07  -0.49  -0.11     0.02   0.03  -0.01    -0.17  -0.04   0.07
    21   1    -0.15  -0.25  -0.06     0.22  -0.18  -0.20     0.14   0.09  -0.02
    22   1     0.05  -0.03   0.02    -0.34   0.08  -0.08    -0.40  -0.01   0.04
    23   1    -0.09  -0.02   0.04     0.41  -0.10  -0.19    -0.03  -0.09  -0.04
    24   1     0.15  -0.03   0.03    -0.05  -0.02  -0.17     0.14  -0.08  -0.10
    25   1     0.00  -0.31  -0.18     0.21  -0.29  -0.27    -0.04  -0.09  -0.04
    26   1    -0.00  -0.16   0.04     0.04   0.25   0.42     0.00  -0.20  -0.15
    27   1    -0.03   0.12   0.30     0.18  -0.09   0.04    -0.06   0.09   0.12
    28   1    -0.02  -0.03  -0.02     0.00   0.00   0.00     0.02   0.02   0.01
    29   6     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.00
    30   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.02  -0.04  -0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    32   1     0.01   0.01   0.03    -0.00  -0.00  -0.00    -0.01  -0.01  -0.02
    33   1     0.02   0.04   0.04    -0.00  -0.01  -0.01    -0.02  -0.03  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --    962.6486               972.1755               977.1112
 Red. masses --      1.5438                 1.4866                 1.3846
 Frc consts  --      0.8429                 0.8278                 0.7789
 IR Inten    --      0.1796                 0.0536                 0.1500
 RamAct Fr= 1--      1.7417                 2.2969                 0.3506
  Dep-P Fr= 1--      0.6270                 0.6686                 0.7495
  Dep-U Fr= 1--      0.7707                 0.8014                 0.8568
 Alpha2 Fr= 1--      0.0039                 0.0033                 0.0000
 Beta2  Fr= 1--      0.2237                 0.3068                 0.0501
 AlphaG Fr= 1--      0.0558                 0.0023                 0.0002
 Gamma2 Fr= 1--      0.1875                -0.1266                -0.8414
 Delta2 Fr= 1--      0.0978                -0.1648                 0.4223
 Raman1 Fr= 1--       6.967                  9.187                  1.402
 ROA1   Fr= 1--      21.129                -17.426                -67.263
 CID1   Fr= 1--       3.033                 -1.897                -47.969
 Raman2 Fr= 1--       2.685                  3.681                  0.601
 ROA2   Fr= 1--       3.718                 -1.719                -23.572
 CID2   Fr= 1--       1.385                 -0.467                -39.240
 Raman3 Fr= 1--       5.370                  7.362                  1.201
 ROA3   Fr= 1--      21.129                -17.426                -67.263
 CID3   Fr= 1--       3.935                 -2.367                -55.986
 RC180  Fr= 1--       0.541                  0.603                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.11  -0.01     0.00   0.01  -0.00    -0.00   0.01  -0.01
     2   6    -0.01   0.04  -0.00    -0.01  -0.01   0.00    -0.00  -0.03  -0.00
     3   6     0.01   0.09  -0.00     0.01  -0.01  -0.01    -0.00  -0.01  -0.00
     4   6    -0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.00
     5   6     0.01  -0.03   0.01     0.01   0.02   0.01    -0.01  -0.12  -0.00
     6   6     0.00   0.02   0.01    -0.00  -0.02  -0.00     0.01   0.11   0.01
     7   6    -0.03  -0.09  -0.02    -0.01   0.02   0.02    -0.00   0.03   0.01
     8   6     0.06   0.06   0.01    -0.07   0.04   0.06    -0.03  -0.00   0.01
     9   6    -0.04   0.07   0.04     0.10   0.08  -0.03     0.03  -0.01  -0.01
    10   6     0.03  -0.01  -0.03    -0.04  -0.11  -0.03    -0.01  -0.02   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.02   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.06   0.60   0.04     0.00  -0.05  -0.01    -0.02  -0.08  -0.01
    16   1    -0.04  -0.49  -0.04     0.02   0.03  -0.00     0.01   0.06   0.00
    17   1     0.05   0.16   0.01    -0.00  -0.13  -0.00     0.06   0.70   0.06
    18   1     0.00  -0.11   0.01     0.01   0.10   0.01    -0.07  -0.64  -0.04
    19   1    -0.04  -0.19   0.08    -0.03   0.04  -0.01     0.03   0.07  -0.02
    20   1    -0.14  -0.03   0.06    -0.02  -0.01   0.01     0.03   0.02  -0.01
    21   1     0.10   0.07  -0.01    -0.24   0.14   0.18    -0.06   0.02   0.04
    22   1    -0.37  -0.02   0.04    -0.14  -0.13   0.10     0.07  -0.01   0.00
    23   1    -0.04  -0.10  -0.04    -0.15  -0.13   0.02     0.00   0.01   0.01
    24   1     0.18  -0.09  -0.10     0.55  -0.17  -0.07     0.03  -0.00   0.01
    25   1    -0.00  -0.05  -0.03     0.08   0.16   0.02     0.01   0.04   0.01
    26   1     0.00  -0.09  -0.07     0.02   0.21   0.01     0.00   0.04   0.00
    27   1    -0.02   0.03   0.05     0.13  -0.30  -0.45     0.02  -0.06  -0.09
    28   1     0.01   0.01  -0.00    -0.01  -0.01  -0.00     0.03   0.05   0.00
    29   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.01   0.00   0.00    -0.00  -0.01   0.00     0.01   0.01  -0.00
    32   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.01  -0.01  -0.02
    33   1     0.01   0.01   0.00     0.01   0.01   0.01    -0.02  -0.04  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.2452              1046.1702              1084.2273
 Red. masses --      1.9162                 2.8214                 2.1155
 Frc consts  --      1.1614                 1.8194                 1.4652
 IR Inten    --      2.1954                 4.2930                57.4409
 RamAct Fr= 1--     12.0267                 0.1171                 3.7328
  Dep-P Fr= 1--      0.2286                 0.7336                 0.6316
  Dep-U Fr= 1--      0.3721                 0.8463                 0.7742
 Alpha2 Fr= 1--      0.1512                 0.0000                 0.0080
 Beta2  Fr= 1--      0.7458                 0.0165                 0.4817
 AlphaG Fr= 1--      0.0059                -0.0005                 0.0195
 Gamma2 Fr= 1--      0.3016                -0.0776                -1.3147
 Delta2 Fr= 1--     -1.4086                 0.1694                 1.4731
 Raman1 Fr= 1--      48.107                  0.468                 14.931
 ROA1   Fr= 1--     -16.126                 -2.025                -79.076
 CID1   Fr= 1--      -0.335                 -4.325                 -5.296
 Raman2 Fr= 1--       8.950                  0.198                  5.780
 ROA2   Fr= 1--      18.506                 -3.217                -43.339
 CID2   Fr= 1--       2.068                -16.233                 -7.498
 Raman3 Fr= 1--      17.900                  0.396                 11.560
 ROA3   Fr= 1--     -16.126                 -2.025                -79.076
 CID3   Fr= 1--      -0.901                 -5.110                 -6.841
 RC180  Fr= 1--      -0.256                  0.693                  0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00  -0.04    -0.05   0.02  -0.20    -0.05   0.01  -0.04
     2   6    -0.00   0.00  -0.02     0.03  -0.01  -0.00    -0.00  -0.01   0.04
     3   6     0.00   0.01   0.02    -0.01  -0.01   0.19     0.02   0.01  -0.05
     4   6     0.07  -0.03  -0.04     0.04  -0.00   0.01     0.05  -0.02   0.03
     5   6     0.00   0.02   0.04    -0.04   0.02  -0.20    -0.02   0.01  -0.00
     6   6    -0.04  -0.01   0.06    -0.01  -0.01   0.20     0.01   0.00  -0.02
     7   6     0.01   0.01   0.00    -0.01   0.00   0.00     0.01  -0.01   0.02
     8   6    -0.00  -0.00   0.01     0.00   0.00   0.00     0.01   0.01  -0.04
     9   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.01  -0.00   0.02
    10   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.02
    11   6     0.10   0.14  -0.06    -0.01  -0.01   0.02     0.09   0.08   0.16
    12   6    -0.07  -0.01   0.04     0.00  -0.00  -0.01    -0.01   0.09   0.02
    13   8     0.03  -0.00   0.03    -0.00   0.00  -0.01    -0.00   0.01  -0.00
    14   8     0.01  -0.03  -0.02    -0.00   0.00   0.00    -0.01  -0.07  -0.07
    15   1    -0.00   0.02  -0.05     0.21   0.00  -0.38    -0.19   0.01   0.05
    16   1    -0.03  -0.06   0.01     0.29  -0.05   0.33     0.09  -0.03  -0.02
    17   1    -0.04  -0.14   0.05     0.21   0.00  -0.38    -0.17  -0.01   0.10
    18   1    -0.12   0.06   0.04     0.32  -0.06   0.35     0.06  -0.00   0.00
    19   1     0.04   0.03  -0.01    -0.04  -0.01   0.00    -0.18  -0.06   0.01
    20   1    -0.03  -0.02   0.01    -0.06  -0.02   0.01     0.20   0.03  -0.05
    21   1    -0.03  -0.04   0.00    -0.00   0.00   0.00     0.10   0.11  -0.04
    22   1     0.03  -0.01   0.00    -0.01  -0.00   0.00    -0.06   0.02  -0.02
    23   1    -0.02   0.00   0.01    -0.01  -0.00   0.00     0.06  -0.00  -0.02
    24   1     0.01   0.00   0.01     0.01  -0.00  -0.00    -0.05   0.01  -0.03
    25   1     0.00  -0.02  -0.01    -0.00  -0.01  -0.00     0.00   0.09   0.06
    26   1     0.00  -0.00   0.01     0.00  -0.00  -0.00     0.00   0.05  -0.01
    27   1     0.00   0.00   0.02    -0.00   0.00   0.00     0.00  -0.04  -0.08
    28   1     0.45   0.46  -0.00    -0.10  -0.07   0.01     0.06  -0.29   0.18
    29   6    -0.12  -0.09   0.00     0.00   0.02  -0.01    -0.06  -0.02  -0.13
    30   1    -0.01  -0.05  -0.05     0.00   0.01   0.01     0.07   0.14   0.25
    31   1     0.22   0.18   0.04    -0.02  -0.07  -0.01    -0.16  -0.48  -0.11
    32   1    -0.18  -0.38  -0.35     0.00  -0.02   0.04    -0.04  -0.23   0.13
    33   1     0.07  -0.12  -0.20     0.03   0.06   0.06     0.12   0.22   0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.3588              1106.2202              1138.5163
 Red. masses --      1.5764                 1.8099                 2.1670
 Frc consts  --      1.1185                 1.3049                 1.6550
 IR Inten    --      3.5792                45.1030                 2.2663
 RamAct Fr= 1--      3.1412                 4.7581                16.2896
  Dep-P Fr= 1--      0.3504                 0.3413                 0.4529
  Dep-U Fr= 1--      0.5190                 0.5089                 0.6234
 Alpha2 Fr= 1--      0.0275                 0.0430                 0.0987
 Beta2  Fr= 1--      0.2717                 0.4036                 1.6925
 AlphaG Fr= 1--     -0.0260                 0.0469                -0.1653
 Gamma2 Fr= 1--     -0.3849                -1.8396                 1.1203
 Delta2 Fr= 1--      0.8725                -0.6734                 0.1921
 Raman1 Fr= 1--      12.565                 19.033                 65.158
 ROA1   Fr= 1--      -9.030               -198.152                113.696
 CID1   Fr= 1--      -0.719                -10.411                  1.745
 Raman2 Fr= 1--       3.261                  4.843                 20.311
 ROA2   Fr= 1--     -16.217                -38.764                 25.351
 CID2   Fr= 1--      -4.974                 -8.004                  1.248
 Raman3 Fr= 1--       6.521                  9.686                 40.621
 ROA3   Fr= 1--      -9.030               -198.152                113.696
 CID3   Fr= 1--      -1.385                -20.458                  2.799
 RC180  Fr= 1--       0.038                  0.018                  0.247
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.03     0.03  -0.01   0.05     0.03   0.01   0.01
     2   6     0.01  -0.01   0.04     0.00   0.02  -0.05    -0.03  -0.05  -0.02
     3   6     0.02   0.01  -0.01    -0.03   0.01   0.02    -0.02   0.00   0.01
     4   6    -0.05  -0.04   0.04    -0.04  -0.03  -0.01    -0.02   0.00  -0.02
     5   6    -0.03   0.02  -0.04     0.03   0.01  -0.01     0.03  -0.00   0.01
     6   6     0.02   0.00  -0.05     0.01  -0.01   0.02    -0.02   0.01   0.02
     7   6    -0.01  -0.01   0.05    -0.01   0.01  -0.07     0.01   0.11   0.00
     8   6     0.01   0.01  -0.05    -0.03  -0.01   0.09     0.17  -0.15  -0.07
     9   6    -0.01  -0.00   0.02     0.02  -0.00  -0.03    -0.08   0.09  -0.03
    10   6    -0.00  -0.02   0.03     0.01   0.02  -0.05    -0.06   0.03   0.09
    11   6    -0.02   0.11  -0.03     0.01   0.11   0.07    -0.01   0.00   0.00
    12   6    -0.02  -0.00   0.02    -0.00   0.07   0.02     0.00   0.03   0.01
    13   8     0.02  -0.01   0.03     0.01  -0.01   0.03     0.00  -0.00   0.01
    14   8     0.00  -0.01  -0.00    -0.01  -0.06  -0.05    -0.00  -0.02  -0.02
    15   1    -0.04  -0.01  -0.00     0.07   0.01   0.02     0.19  -0.07  -0.10
    16   1     0.17  -0.07   0.06    -0.16  -0.02  -0.04    -0.14   0.01  -0.04
    17   1    -0.09  -0.04  -0.00     0.17  -0.03  -0.11     0.16  -0.01  -0.08
    18   1     0.13  -0.02  -0.00     0.01   0.00   0.03    -0.13  -0.03  -0.04
    19   1    -0.29  -0.07   0.01     0.41   0.09  -0.01    -0.22  -0.01   0.02
    20   1     0.26   0.02  -0.07    -0.38  -0.01   0.10    -0.09  -0.09  -0.03
    21   1     0.13   0.15  -0.05    -0.20  -0.18   0.09     0.19  -0.42  -0.19
    22   1    -0.08   0.03  -0.02     0.12  -0.04   0.03    -0.21  -0.11   0.12
    23   1     0.08  -0.01  -0.03    -0.09   0.01   0.04    -0.40  -0.09   0.07
    24   1    -0.06   0.01  -0.04     0.08  -0.01   0.05     0.22  -0.07   0.00
    25   1     0.00   0.13   0.08    -0.01  -0.19  -0.12     0.08   0.13   0.07
    26   1     0.00   0.06  -0.03    -0.00  -0.11   0.02     0.00   0.22   0.20
    27   1    -0.00  -0.05  -0.11    -0.00   0.08   0.16     0.10  -0.08  -0.06
    28   1    -0.21   0.37  -0.08    -0.10   0.06   0.05     0.04  -0.06   0.02
    29   6     0.07  -0.09  -0.00     0.05  -0.08  -0.06     0.01  -0.01   0.00
    30   1    -0.02  -0.06  -0.07     0.03   0.06   0.13     0.01   0.05   0.07
    31   1    -0.20   0.08  -0.06    -0.25  -0.14  -0.10    -0.01   0.01  -0.00
    32   1     0.11   0.37   0.07     0.09   0.25   0.16     0.01   0.03   0.01
    33   1    -0.32  -0.31  -0.15    -0.23  -0.16  -0.00    -0.03  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.2261              1161.6316              1193.8704
 Red. masses --      1.5705                 2.0662                 1.7718
 Frc consts  --      1.2200                 1.6427                 1.4879
 IR Inten    --     41.0964               149.3693                10.0603
 RamAct Fr= 1--      8.0075                 1.8643                 3.6992
  Dep-P Fr= 1--      0.1495                 0.5306                 0.4596
  Dep-U Fr= 1--      0.2601                 0.6933                 0.6297
 Alpha2 Fr= 1--      0.1239                 0.0079                 0.0218
 Beta2  Fr= 1--      0.3471                 0.2154                 0.3883
 AlphaG Fr= 1--      0.0057                -0.0252                -0.0270
 Gamma2 Fr= 1--      0.3652                -2.2813                 1.4335
 Delta2 Fr= 1--      0.6325                -0.8396                -0.6933
 Raman1 Fr= 1--      32.030                  7.457                 14.797
 ROA1   Fr= 1--      55.301               -245.870                115.432
 CID1   Fr= 1--       1.727                -32.971                  7.801
 Raman2 Fr= 1--       4.166                  2.585                  4.659
 ROA2   Fr= 1--       3.705                -48.034                 39.951
 CID2   Fr= 1--       0.889                -18.581                  8.575
 Raman3 Fr= 1--       8.331                  5.170                  9.318
 ROA3   Fr= 1--      55.301               -245.870                115.432
 CID3   Fr= 1--       6.638                -47.556                 12.388
 RC180  Fr= 1--      -0.480                  0.387                  0.259
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.01   0.00    -0.03   0.00   0.01     0.00  -0.00   0.01
     2   6     0.02   0.01  -0.01    -0.01   0.00   0.01     0.01   0.00  -0.01
     3   6    -0.07   0.00   0.04     0.04  -0.01   0.01     0.00  -0.00   0.00
     4   6    -0.04   0.01  -0.03    -0.04   0.02  -0.00    -0.00   0.00  -0.00
     5   6     0.05  -0.01   0.01    -0.05   0.00   0.00    -0.01   0.00   0.00
     6   6    -0.05   0.00   0.00     0.05  -0.00  -0.02     0.00  -0.00   0.00
     7   6    -0.01  -0.04   0.06    -0.00   0.01  -0.02    -0.01  -0.05   0.03
     8   6    -0.04   0.06  -0.04     0.00  -0.01   0.01     0.14   0.13   0.05
     9   6     0.02  -0.03   0.03     0.00   0.01  -0.01    -0.06  -0.07  -0.08
    10   6     0.01  -0.02   0.01     0.00   0.01  -0.01    -0.11  -0.04  -0.04
    11   6    -0.00  -0.02  -0.01    -0.03  -0.07  -0.11     0.00   0.00  -0.00
    12   6     0.01   0.08   0.02     0.01   0.16   0.05     0.00   0.00   0.00
    13   8     0.01  -0.01   0.02     0.02  -0.02   0.05     0.00  -0.00   0.00
    14   8    -0.01  -0.04  -0.06    -0.02  -0.08  -0.11    -0.00  -0.00  -0.00
    15   1     0.44  -0.02  -0.23    -0.18   0.01   0.11    -0.01   0.01   0.02
    16   1    -0.30   0.04  -0.06     0.35  -0.02   0.15    -0.02   0.00  -0.01
    17   1     0.31  -0.01  -0.17    -0.24   0.03   0.13    -0.01   0.00   0.01
    18   1    -0.38   0.05  -0.14     0.31  -0.03   0.10     0.03  -0.00   0.02
    19   1    -0.16  -0.01  -0.02     0.05  -0.00   0.01     0.04   0.00   0.00
    20   1     0.21  -0.02  -0.04    -0.04   0.02   0.01    -0.19  -0.19   0.06
    21   1     0.03   0.21  -0.00    -0.02  -0.03   0.01     0.29   0.31   0.05
    22   1     0.00   0.06  -0.06     0.00  -0.01   0.01     0.34  -0.00  -0.03
    23   1     0.18   0.02  -0.04    -0.03  -0.01   0.01    -0.21   0.20   0.13
    24   1    -0.12   0.03  -0.03     0.03  -0.01   0.00    -0.23   0.10   0.20
    25   1    -0.02   0.08   0.06    -0.00  -0.03  -0.02     0.23  -0.09  -0.21
    26   1     0.00  -0.01  -0.09    -0.00  -0.01   0.01    -0.00   0.26   0.24
    27   1    -0.03  -0.02  -0.08     0.00   0.01   0.03     0.21  -0.22  -0.16
    28   1     0.14  -0.16   0.03     0.21  -0.27  -0.05     0.01  -0.01   0.00
    29   6     0.01  -0.01   0.02     0.01   0.01   0.09     0.00  -0.00   0.00
    30   1     0.04   0.13   0.20     0.07   0.25   0.40     0.00   0.01   0.01
    31   1     0.03   0.07   0.02     0.15   0.29   0.10    -0.00   0.00  -0.00
    32   1     0.00   0.02  -0.02    -0.02   0.03  -0.15     0.00   0.00   0.00
    33   1    -0.02  -0.04  -0.03    -0.01  -0.12  -0.15    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1212.1002              1222.8869              1236.8451
 Red. masses --      1.2524                 2.1670                 2.3708
 Frc consts  --      1.0841                 1.9093                 2.1368
 IR Inten    --      3.2496                 8.1453                 2.1454
 RamAct Fr= 1--     57.9361                46.7540                33.3599
  Dep-P Fr= 1--      0.1062                 0.1764                 0.1381
  Dep-U Fr= 1--      0.1920                 0.2999                 0.2427
 Alpha2 Fr= 1--      0.9991                 0.6755                 0.5314
 Beta2  Fr= 1--      1.8539                 2.3366                 1.3493
 AlphaG Fr= 1--     -0.5133                -0.1383                -0.1748
 Gamma2 Fr= 1--     -4.3448                -0.2802                -0.7390
 Delta2 Fr= 1--      1.3173                -0.4530                 0.2594
 Raman1 Fr= 1--     231.744                187.016                133.439
 ROA1   Fr= 1--    -374.945                -41.398                -62.639
 CID1   Fr= 1--      -1.618                 -0.221                 -0.469
 Raman2 Fr= 1--      22.247                 28.039                 16.192
 ROA2   Fr= 1--    -114.813                 -3.102                -19.810
 CID2   Fr= 1--      -5.161                 -0.111                 -1.223
 Raman3 Fr= 1--      44.494                 56.078                 32.384
 ROA3   Fr= 1--    -374.945                -41.398                -62.639
 CID3   Fr= 1--      -8.427                 -0.738                 -1.934
 RC180  Fr= 1--      -0.616                 -0.400                 -0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.05    -0.09   0.01  -0.03     0.05  -0.00  -0.01
     2   6     0.04  -0.01  -0.01    -0.04   0.01   0.01     0.29  -0.04  -0.03
     3   6     0.02  -0.00   0.04     0.06  -0.01  -0.02    -0.07   0.00   0.06
     4   6    -0.09   0.01  -0.00     0.23  -0.02   0.00     0.05  -0.00   0.01
     5   6     0.01   0.00  -0.04     0.08  -0.01  -0.02    -0.08   0.01  -0.06
     6   6    -0.01   0.00  -0.04    -0.10   0.01   0.04     0.05  -0.00   0.01
     7   6    -0.02   0.00   0.00     0.02  -0.01  -0.00    -0.10   0.04   0.01
     8   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.01   0.01  -0.03
     9   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.02
    10   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.01   0.02
    11   6     0.04   0.00   0.00    -0.10  -0.01  -0.02     0.01  -0.01  -0.00
    12   6    -0.00  -0.01  -0.00    -0.00   0.03   0.01    -0.00   0.00   0.00
    13   8    -0.00   0.00  -0.01     0.01  -0.01   0.03     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.02  -0.03    -0.00  -0.00  -0.01
    15   1    -0.33   0.01   0.27    -0.41   0.03   0.18    -0.29   0.00   0.24
    16   1     0.50  -0.06   0.27    -0.00   0.00  -0.06    -0.39   0.04  -0.08
    17   1     0.38  -0.01  -0.29     0.21  -0.01  -0.10    -0.35   0.02   0.12
    18   1    -0.37   0.05  -0.21    -0.50   0.06  -0.13    -0.19   0.03  -0.11
    19   1    -0.03   0.00  -0.00     0.06   0.02  -0.02    -0.29  -0.05   0.03
    20   1    -0.06  -0.01   0.01     0.03   0.01   0.00    -0.46  -0.16   0.08
    21   1    -0.00  -0.01  -0.01     0.01  -0.01  -0.01    -0.07  -0.04  -0.03
    22   1    -0.01   0.00   0.00     0.01   0.00  -0.01    -0.05   0.02  -0.01
    23   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.05  -0.02  -0.02
    24   1     0.00   0.00  -0.00    -0.02   0.00   0.00    -0.01  -0.00  -0.04
    25   1     0.00   0.01   0.01     0.00   0.01   0.00    -0.02   0.04   0.04
    26   1    -0.00   0.01  -0.00     0.00   0.01   0.00    -0.00   0.00  -0.05
    27   1     0.00  -0.00  -0.01     0.00  -0.01  -0.01    -0.02  -0.00  -0.03
    28   1     0.20  -0.01   0.04    -0.53   0.01  -0.11    -0.14   0.02  -0.04
    29   6    -0.01  -0.00  -0.02     0.02   0.00   0.04    -0.00   0.00   0.01
    30   1    -0.01  -0.03  -0.05     0.03   0.11   0.17     0.01   0.04   0.06
    31   1     0.01  -0.03  -0.01    -0.02   0.11   0.03     0.01   0.01   0.01
    32   1    -0.01  -0.02   0.02     0.01   0.05  -0.03    -0.01  -0.02  -0.03
    33   1     0.03   0.03   0.02    -0.07  -0.08  -0.05     0.01  -0.01  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1247.5578              1280.2618              1309.1043
 Red. masses --      1.6163                 1.7494                 1.5903
 Frc consts  --      1.4822                 1.6894                 1.6058
 IR Inten    --      2.0550                 3.0947                 4.7538
 RamAct Fr= 1--      6.4059                 5.8191                 7.0673
  Dep-P Fr= 1--      0.4864                 0.4655                 0.5274
  Dep-U Fr= 1--      0.6545                 0.6353                 0.6906
 Alpha2 Fr= 1--      0.0337                 0.0335                 0.0305
 Beta2  Fr= 1--      0.6987                 0.6161                 0.8134
 AlphaG Fr= 1--      0.0325                -0.0159                -0.0592
 Gamma2 Fr= 1--      2.4704                 1.5905                -5.1423
 Delta2 Fr= 1--     -0.1807                 0.1485                 0.0240
 Raman1 Fr= 1--      25.624                 23.276                 28.269
 ROA1   Fr= 1--     231.378                157.437               -492.893
 CID1   Fr= 1--       9.030                  6.764                -17.436
 Raman2 Fr= 1--       8.385                  7.393                  9.761
 ROA2   Fr= 1--      60.736                 36.983               -123.607
 CID2   Fr= 1--       7.243                  5.002                -12.663
 Raman3 Fr= 1--      16.770                 14.787                 19.522
 ROA3   Fr= 1--     231.378                157.437               -492.893
 CID3   Fr= 1--      13.797                 10.647                -25.248
 RC180  Fr= 1--       0.309                  0.271                  0.381
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.00  -0.04    -0.04   0.00   0.01    -0.03   0.00   0.03
     2   6     0.04  -0.02   0.07     0.02  -0.01  -0.03    -0.00  -0.00  -0.03
     3   6    -0.03   0.00  -0.01     0.03  -0.00   0.05     0.03  -0.01   0.03
     4   6    -0.00  -0.00   0.04     0.07  -0.01  -0.12     0.01   0.01  -0.09
     5   6     0.01   0.00  -0.03    -0.01  -0.00   0.03    -0.02   0.00   0.03
     6   6    -0.02   0.01  -0.03     0.02  -0.00   0.04     0.03  -0.00   0.02
     7   6    -0.02   0.02  -0.05     0.00   0.01  -0.00     0.02   0.01  -0.00
     8   6     0.01  -0.06   0.14     0.00  -0.01   0.02     0.01   0.00  -0.00
     9   6     0.00   0.02  -0.05     0.00  -0.00  -0.00     0.00  -0.01   0.01
    10   6    -0.01   0.05  -0.08    -0.00   0.01  -0.01    -0.00   0.00  -0.01
    11   6     0.03  -0.01  -0.01    -0.14   0.06   0.02    -0.07  -0.06   0.02
    12   6    -0.01  -0.00   0.00     0.04   0.06   0.00     0.01  -0.12  -0.03
    13   8     0.00  -0.00   0.01    -0.02  -0.01  -0.04     0.01   0.02   0.05
    14   8    -0.00   0.00  -0.01     0.01  -0.02   0.04    -0.02   0.04  -0.04
    15   1     0.05  -0.01  -0.06     0.04  -0.00  -0.04     0.08  -0.01  -0.05
    16   1    -0.01   0.00  -0.00     0.09  -0.02   0.08     0.10  -0.01   0.06
    17   1    -0.02   0.00  -0.01    -0.24   0.00   0.19    -0.11   0.00   0.09
    18   1    -0.15   0.01  -0.10    -0.22   0.02  -0.07    -0.11   0.01  -0.04
    19   1    -0.41  -0.32   0.13    -0.18  -0.10   0.04    -0.14  -0.09   0.03
    20   1     0.36   0.35  -0.07     0.08   0.04  -0.02     0.01  -0.02  -0.01
    21   1    -0.03   0.15   0.25    -0.04   0.06   0.07    -0.10   0.03   0.07
    22   1     0.07  -0.09   0.07     0.00  -0.01   0.01    -0.01   0.01  -0.01
    23   1    -0.14   0.01   0.04    -0.00   0.00   0.00     0.02   0.00  -0.00
    24   1     0.11  -0.00   0.09     0.00   0.00   0.01    -0.03   0.01  -0.00
    25   1     0.01  -0.27  -0.20     0.00  -0.05  -0.04     0.01  -0.02  -0.02
    26   1    -0.01  -0.13   0.14    -0.00  -0.02   0.02    -0.00  -0.00   0.01
    27   1     0.07   0.07   0.20     0.01   0.01   0.03     0.01   0.00   0.01
    28   1    -0.08   0.03  -0.03     0.52  -0.34   0.18     0.28   0.54   0.05
    29   6    -0.01   0.00   0.01     0.05  -0.02  -0.01     0.03   0.02  -0.06
    30   1     0.01   0.03   0.04    -0.08  -0.28  -0.36     0.08   0.37   0.50
    31   1     0.03   0.01   0.01    -0.15   0.00  -0.04    -0.08  -0.11  -0.06
    32   1    -0.02  -0.04  -0.03     0.06   0.13   0.03     0.06   0.06   0.14
    33   1     0.03   0.01  -0.02    -0.14  -0.07   0.03    -0.02   0.09   0.13
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1319.0404              1349.7460              1363.6003
 Red. masses --      1.3480                 2.2011                 1.5733
 Frc consts  --      1.3818                 2.3626                 1.7236
 IR Inten    --      0.8518                 0.5430                 0.6094
 RamAct Fr= 1--     19.4463                 1.4719                17.4949
  Dep-P Fr= 1--      0.3007                 0.7447                 0.4305
  Dep-U Fr= 1--      0.4623                 0.8537                 0.6019
 Alpha2 Fr= 1--      0.1991                 0.0001                 0.1158
 Beta2  Fr= 1--      1.4984                 0.2094                 1.7549
 AlphaG Fr= 1--     -0.0306                 0.0112                -0.1597
 Gamma2 Fr= 1--      5.0767                -4.0416                 7.9543
 Delta2 Fr= 1--      0.4537                -1.0264                 4.5742
 Raman1 Fr= 1--      77.785                  5.888                 69.980
 ROA1   Fr= 1--     501.883               -420.842                909.988
 CID1   Fr= 1--       6.452                -71.478                 13.004
 Raman2 Fr= 1--      17.981                  2.513                 21.059
 ROA2   Fr= 1--     118.212                -88.788                154.309
 CID2   Fr= 1--       6.574                -35.331                  7.327
 Raman3 Fr= 1--      35.962                  5.026                 42.118
 ROA3   Fr= 1--     501.883               -420.842                909.988
 CID3   Fr= 1--      13.956                -83.732                 21.606
 RC180  Fr= 1--      -0.075                  0.707                  0.204
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.01     0.06  -0.00  -0.06     0.08  -0.00  -0.05
     2   6     0.05   0.02   0.02     0.00  -0.01   0.19    -0.01  -0.00  -0.00
     3   6    -0.02  -0.00   0.01    -0.12   0.01  -0.06    -0.03   0.00  -0.01
     4   6     0.01   0.00  -0.01     0.02  -0.00   0.07     0.03  -0.01   0.11
     5   6    -0.00   0.00  -0.01     0.11  -0.01  -0.07     0.04  -0.00  -0.01
     6   6     0.01  -0.00   0.00    -0.08   0.01  -0.04    -0.10   0.01  -0.03
     7   6    -0.11  -0.06   0.03    -0.01  -0.00  -0.06     0.05   0.02   0.02
     8   6    -0.04  -0.04   0.03     0.04   0.08  -0.00    -0.04  -0.05  -0.01
     9   6    -0.01   0.04  -0.05    -0.00  -0.03   0.01     0.01   0.01  -0.00
    10   6     0.02  -0.01   0.01    -0.00  -0.03   0.02     0.01   0.02  -0.01
    11   6    -0.02  -0.01   0.00    -0.04  -0.02  -0.01    -0.08  -0.03  -0.02
    12   6     0.00  -0.01  -0.00     0.00   0.00   0.00     0.01   0.02   0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.01   0.02  -0.01     0.19  -0.00  -0.14    -0.33   0.01   0.23
    16   1     0.01   0.00   0.03     0.35  -0.04   0.15    -0.22   0.03  -0.09
    17   1    -0.12   0.01   0.07    -0.32   0.02   0.23     0.19  -0.00  -0.11
    18   1    -0.11   0.02  -0.05    -0.17   0.03  -0.08     0.33  -0.05   0.17
    19   1     0.42   0.33  -0.14     0.18  -0.00   0.01    -0.05  -0.02   0.02
    20   1     0.29   0.24  -0.03    -0.24   0.01   0.07    -0.14  -0.18   0.02
    21   1     0.57   0.00  -0.25    -0.24  -0.46  -0.09     0.20   0.31   0.02
    22   1     0.07  -0.08   0.07     0.01   0.06  -0.05    -0.01  -0.03   0.02
    23   1    -0.14  -0.02   0.01     0.04   0.06   0.02    -0.03  -0.05  -0.01
    24   1     0.17  -0.03   0.04    -0.07   0.01   0.01     0.02  -0.00  -0.02
    25   1    -0.05   0.05   0.06     0.04   0.07   0.03    -0.05  -0.05  -0.01
    26   1     0.01  -0.01   0.00    -0.00   0.05  -0.07    -0.00  -0.04   0.03
    27   1    -0.04   0.02   0.01     0.00  -0.05  -0.08    -0.02   0.03   0.01
    28   1     0.10   0.07   0.02     0.26   0.09   0.05     0.53   0.17   0.10
    29   6     0.01   0.00  -0.01     0.01   0.01  -0.01     0.02   0.00  -0.02
    30   1     0.01   0.04   0.06    -0.00   0.00   0.01    -0.01  -0.01  -0.01
    31   1    -0.03  -0.02  -0.01    -0.05  -0.03  -0.02    -0.06  -0.02  -0.04
    32   1     0.01   0.01   0.02     0.01   0.01   0.00     0.04   0.04   0.06
    33   1    -0.01   0.01   0.02    -0.02   0.01   0.02    -0.04   0.04   0.08
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.4887              1374.8686              1392.4356
 Red. masses --      1.4759                 1.3048                 1.9967
 Frc consts  --      1.6380                 1.4532                 2.2810
 IR Inten    --      0.4914                 4.3905                41.8845
 RamAct Fr= 1--      5.0447                21.0321                 6.2025
  Dep-P Fr= 1--      0.2054                 0.4876                 0.7500
  Dep-U Fr= 1--      0.3408                 0.6556                 0.8571
 Alpha2 Fr= 1--      0.0675                 0.1099                 0.0000
 Beta2  Fr= 1--      0.2865                 2.2981                 0.8861
 AlphaG Fr= 1--     -0.2369                -0.2077                -0.0005
 Gamma2 Fr= 1--     -3.3412                -6.7630                 2.0829
 Delta2 Fr= 1--     -0.4550                 1.2881                -2.2431
 Raman1 Fr= 1--      20.179                 84.128                 24.810
 ROA1   Fr= 1--    -335.318               -608.024                128.181
 CID1   Fr= 1--     -16.617                 -7.227                  5.167
 Raman2 Fr= 1--       3.438                 27.577                 10.633
 ROA2   Fr= 1--     -76.549               -172.616                 67.935
 CID2   Fr= 1--     -22.263                 -6.259                  6.389
 Raman3 Fr= 1--       6.877                 55.154                 21.266
 ROA3   Fr= 1--    -335.318               -608.024                128.181
 CID3   Fr= 1--     -48.761                -11.024                  6.028
 RC180  Fr= 1--      -0.318                  0.311                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01    -0.01   0.00   0.02    -0.04   0.00   0.01
     2   6    -0.02  -0.01  -0.01    -0.01  -0.01   0.05    -0.00   0.00   0.00
     3   6     0.01  -0.00  -0.00    -0.03   0.01  -0.02     0.02  -0.01  -0.00
     4   6    -0.00   0.00  -0.01    -0.01   0.00  -0.03    -0.00   0.02  -0.02
     5   6    -0.00   0.00   0.01     0.03  -0.00  -0.02    -0.01   0.00  -0.00
     6   6     0.01   0.00   0.00     0.01  -0.00   0.01     0.03  -0.00   0.01
     7   6     0.09   0.03  -0.03     0.06   0.03   0.01     0.00   0.00  -0.00
     8   6    -0.12   0.07   0.08    -0.05  -0.09  -0.04    -0.01  -0.00  -0.00
     9   6    -0.00  -0.01  -0.05     0.01   0.02   0.00    -0.00   0.00  -0.00
    10   6     0.04  -0.01   0.03     0.00   0.03  -0.02     0.00   0.00   0.00
    11   6     0.01   0.01   0.00     0.03   0.01   0.01     0.02  -0.17   0.02
    12   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.04   0.20   0.06
    13   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.03  -0.02
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.06   0.01
    15   1     0.05  -0.01  -0.03     0.20  -0.02  -0.13     0.09  -0.00  -0.07
    16   1     0.03  -0.01   0.01     0.26  -0.04   0.11     0.02   0.03  -0.00
    17   1     0.01  -0.00  -0.00    -0.20   0.01   0.14    -0.02   0.01   0.00
    18   1    -0.01  -0.01  -0.01    -0.19   0.01  -0.08    -0.12   0.01  -0.06
    19   1    -0.35  -0.28   0.11     0.11   0.03   0.03     0.00  -0.01   0.01
    20   1    -0.19  -0.15   0.03    -0.34  -0.34   0.04    -0.03  -0.03   0.00
    21   1     0.51  -0.31  -0.40     0.24   0.57   0.10     0.02   0.03  -0.00
    22   1     0.14  -0.04   0.01    -0.04  -0.03   0.03     0.01  -0.00   0.00
    23   1    -0.03   0.08   0.01    -0.06  -0.10  -0.02    -0.00  -0.00  -0.00
    24   1     0.09  -0.00   0.11     0.00   0.00  -0.07     0.00  -0.00  -0.00
    25   1    -0.06  -0.09   0.04    -0.06  -0.06  -0.02    -0.00  -0.01  -0.00
    26   1    -0.01  -0.13  -0.18     0.00  -0.03   0.07    -0.00  -0.01  -0.00
    27   1    -0.07  -0.02  -0.19    -0.02   0.06   0.06     0.00  -0.00  -0.01
    28   1    -0.06  -0.03  -0.01    -0.19  -0.08  -0.03    -0.09   0.76  -0.04
    29   6    -0.00  -0.00   0.00    -0.01   0.00   0.01     0.01   0.05  -0.03
    30   1     0.00   0.01   0.01     0.01   0.02   0.02    -0.06  -0.27  -0.35
    31   1     0.01   0.01   0.00     0.01  -0.00   0.01     0.03  -0.22  -0.02
    32   1    -0.00  -0.00  -0.01    -0.01  -0.02  -0.04     0.02  -0.13   0.14
    33   1     0.00  -0.00  -0.01     0.01  -0.02  -0.04    -0.06   0.03  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4180              1415.8887              1422.9673
 Red. masses --      1.2576                 1.2215                 1.2351
 Frc consts  --      1.4593                 1.4428                 1.4735
 IR Inten    --      5.8724                10.8553                 6.6039
 RamAct Fr= 1--      0.0903                 1.3463                 1.7726
  Dep-P Fr= 1--      0.4760                 0.5267                 0.4546
  Dep-U Fr= 1--      0.6450                 0.6900                 0.6251
 Alpha2 Fr= 1--      0.0005                 0.0058                 0.0107
 Beta2  Fr= 1--      0.0097                 0.1548                 0.1847
 AlphaG Fr= 1--     -0.0024                 0.0012                -0.0129
 Gamma2 Fr= 1--      0.0490                -0.0674                -0.0933
 Delta2 Fr= 1--     -0.0242                 0.1187                 0.1203
 Raman1 Fr= 1--       0.361                  5.385                  7.091
 ROA1   Fr= 1--       3.931                 -2.667                 -5.111
 CID1   Fr= 1--      10.888                 -0.495                 -0.721
 Raman2 Fr= 1--       0.116                  1.858                  2.216
 ROA2   Fr= 1--       1.369                 -2.567                 -3.202
 CID2   Fr= 1--      11.761                 -1.381                 -1.445
 Raman3 Fr= 1--       0.233                  3.716                  4.432
 ROA3   Fr= 1--       3.931                 -2.667                 -5.111
 CID3   Fr= 1--      16.880                 -0.718                 -1.153
 RC180  Fr= 1--       0.290                  0.380                  0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01   0.00  -0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.01   0.00   0.01     0.00   0.00  -0.00     0.02   0.01  -0.01
     8   6     0.02  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.01   0.01
     9   6    -0.10   0.02   0.03     0.00   0.00   0.00    -0.09   0.01   0.01
    10   6    -0.02   0.07   0.07    -0.00   0.00   0.00     0.01  -0.07  -0.08
    11   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.01    -0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    15   1     0.00  -0.00  -0.00     0.02  -0.00  -0.03    -0.00  -0.00   0.00
    16   1     0.01  -0.00   0.01    -0.02   0.00  -0.01     0.01  -0.00   0.00
    17   1    -0.01   0.00   0.01    -0.03  -0.01   0.01    -0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00    -0.04   0.01  -0.02     0.00  -0.00   0.00
    19   1     0.06   0.04  -0.01     0.02   0.00   0.00    -0.09  -0.03  -0.00
    20   1     0.01  -0.01  -0.01    -0.02  -0.01   0.00    -0.07  -0.01   0.03
    21   1    -0.06   0.06   0.06     0.00   0.01   0.00     0.02  -0.01  -0.01
    22   1     0.40   0.07   0.07     0.00   0.00   0.00     0.37   0.05   0.06
    23   1     0.37  -0.03  -0.24    -0.00  -0.00  -0.00     0.33   0.04  -0.20
    24   1     0.35  -0.23  -0.07    -0.00  -0.00  -0.00     0.32  -0.20   0.01
    25   1     0.14  -0.31  -0.17     0.00  -0.00  -0.00    -0.12   0.37   0.16
    26   1    -0.11  -0.24  -0.26    -0.00  -0.00  -0.00     0.12   0.26   0.29
    27   1     0.15  -0.13  -0.31     0.00  -0.00  -0.00    -0.12   0.13   0.38
    28   1    -0.00  -0.01  -0.00    -0.02   0.05  -0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00   0.00    -0.06  -0.11  -0.05    -0.00  -0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00  -0.03  -0.04    -0.00  -0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.30   0.50  -0.01     0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.04   0.47   0.25     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00     0.34   0.28   0.39     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.0736              1485.4746              1490.3400
 Red. masses --      2.4874                 1.0756                 1.0459
 Frc consts  --      3.1243                 1.3985                 1.3687
 IR Inten    --      8.5231                 0.4986                 1.9538
 RamAct Fr= 1--      0.5057                 2.0200                11.5452
  Dep-P Fr= 1--      0.3801                 0.6381                 0.7267
  Dep-U Fr= 1--      0.5509                 0.7791                 0.8417
 Alpha2 Fr= 1--      0.0040                 0.0041                 0.0046
 Beta2  Fr= 1--      0.0464                 0.2623                 1.6197
 AlphaG Fr= 1--      0.0239                -0.0434                 0.0083
 Gamma2 Fr= 1--      2.7531                -1.6361                -2.6666
 Delta2 Fr= 1--     -1.4775                 0.2627                 0.8785
 Raman1 Fr= 1--       2.023                  8.080                 46.181
 ROA1   Fr= 1--     217.015               -148.658               -227.886
 CID1   Fr= 1--     107.294                -18.399                 -4.935
 Raman2 Fr= 1--       0.557                  3.147                 19.436
 ROA2   Fr= 1--      77.894                -41.368                -71.027
 CID2   Fr= 1--     139.822                -13.143                 -3.654
 Raman3 Fr= 1--       1.114                  6.295                 38.872
 ROA3   Fr= 1--     217.015               -148.658               -227.886
 CID3   Fr= 1--     194.773                -23.616                 -5.862
 RC180  Fr= 1--       0.102                  0.558                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.14   0.02  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.01   0.15     0.01   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.14  -0.01  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.01  -0.01   0.15     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.14   0.01  -0.02    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.13  -0.01  -0.05    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.01  -0.04    -0.05   0.04  -0.00     0.02  -0.02   0.00
     8   6    -0.00  -0.01  -0.01     0.01  -0.01  -0.00    -0.01  -0.00   0.01
     9   6    -0.00   0.00   0.01    -0.01  -0.03  -0.00     0.00  -0.02   0.03
    10   6     0.00  -0.00   0.00     0.03   0.01  -0.01    -0.01   0.03  -0.02
    11   6    -0.04   0.01  -0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.02  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    14   8    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.23  -0.00  -0.30    -0.02   0.00   0.01     0.01   0.00  -0.01
    16   1    -0.32   0.05  -0.27    -0.00   0.00   0.00    -0.00   0.00  -0.00
    17   1     0.25   0.00  -0.31    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1    -0.27   0.04  -0.24    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1     0.19  -0.01   0.05     0.26  -0.21   0.30    -0.10   0.09  -0.12
    20   1    -0.21  -0.12   0.01     0.20  -0.32  -0.26    -0.08   0.13   0.11
    21   1     0.01   0.03   0.00    -0.03  -0.01   0.02     0.05  -0.01  -0.03
    22   1     0.04   0.02  -0.00    -0.14   0.18  -0.20     0.07   0.39  -0.32
    23   1    -0.02  -0.04  -0.01     0.05   0.37   0.14    -0.21   0.12   0.20
    24   1    -0.01  -0.01  -0.06     0.21  -0.10   0.11     0.10  -0.17  -0.37
    25   1     0.01  -0.01  -0.01    -0.31  -0.18   0.08    -0.16   0.16   0.11
    26   1     0.00   0.04  -0.02     0.06   0.04   0.23    -0.03  -0.37   0.23
    27   1    -0.03   0.02   0.01    -0.16   0.03  -0.23     0.33  -0.15   0.00
    28   1     0.35  -0.07   0.05    -0.01   0.00  -0.00     0.00  -0.00   0.00
    29   6     0.01   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.03   0.03    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.08  -0.00  -0.01     0.01  -0.00   0.00    -0.01   0.00  -0.00
    32   1    -0.00  -0.03  -0.06     0.00  -0.00   0.01    -0.00   0.00  -0.01
    33   1    -0.04  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1956              1497.5520              1498.7994
 Red. masses --      1.0467                 1.0749                 1.0560
 Frc consts  --      1.3731                 1.4203                 1.3976
 IR Inten    --      4.6917                 4.4608                 6.8012
 RamAct Fr= 1--      6.0409                 4.3636                 5.7112
  Dep-P Fr= 1--      0.6179                 0.6943                 0.6559
  Dep-U Fr= 1--      0.7639                 0.8196                 0.7922
 Alpha2 Fr= 1--      0.0146                 0.0042                 0.0096
 Beta2  Fr= 1--      0.7691                 0.5961                 0.7541
 AlphaG Fr= 1--      0.0073                -0.0081                 0.0751
 Gamma2 Fr= 1--     -0.7008                -1.7229                 1.8929
 Delta2 Fr= 1--     -1.2229                 0.6722                 1.6988
 Raman1 Fr= 1--      24.164                 17.454                 22.845
 ROA1   Fr= 1--    -106.410               -143.883                236.077
 CID1   Fr= 1--      -4.404                 -8.243                 10.334
 Raman2 Fr= 1--       9.229                  7.153                  9.049
 ROA2   Fr= 1--      -7.036                -46.726                 31.839
 CID2   Fr= 1--      -0.762                 -6.533                  3.519
 Raman3 Fr= 1--      18.458                 14.305                 18.098
 ROA3   Fr= 1--    -106.410               -143.883                236.077
 CID3   Fr= 1--      -5.765                -10.058                 13.044
 RC180  Fr= 1--       0.528                  0.639                  0.584
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.01
     3   6    -0.01   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
     5   6    -0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.04   0.04  -0.01     0.01  -0.01  -0.00
     8   6    -0.00   0.00   0.00    -0.02   0.01   0.02     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.03  -0.02  -0.00     0.01   0.00   0.00
    11   6     0.02  -0.00  -0.01    -0.00   0.00  -0.00    -0.02   0.03  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.02  -0.00  -0.01    -0.03  -0.00   0.02     0.00   0.00  -0.01
    16   1     0.03  -0.00   0.01     0.00  -0.00   0.01    -0.01  -0.00  -0.01
    17   1     0.02   0.00  -0.01    -0.00  -0.00   0.01    -0.01  -0.01   0.00
    18   1     0.02  -0.00   0.01     0.01  -0.00   0.01    -0.00   0.00  -0.01
    19   1     0.00  -0.00   0.00     0.21  -0.26   0.32    -0.04   0.06  -0.07
    20   1     0.00  -0.00  -0.00     0.20  -0.32  -0.26    -0.05   0.07   0.06
    21   1     0.00  -0.00  -0.00     0.04  -0.06  -0.04    -0.01   0.01   0.01
    22   1     0.00  -0.00   0.00     0.19   0.08  -0.02    -0.03  -0.01   0.00
    23   1    -0.00  -0.00  -0.00    -0.16  -0.23  -0.01     0.02   0.04   0.00
    24   1    -0.00   0.00  -0.00    -0.10  -0.03  -0.31     0.01   0.00   0.05
    25   1     0.00   0.00   0.00     0.30   0.23  -0.06    -0.06  -0.05   0.01
    26   1    -0.00  -0.00  -0.00    -0.05  -0.04  -0.21     0.01   0.01   0.04
    27   1     0.00  -0.00   0.00     0.17  -0.03   0.27    -0.04   0.01  -0.06
    28   1    -0.06  -0.03  -0.03    -0.01  -0.02  -0.00     0.02  -0.09  -0.01
    29   6     0.04  -0.00  -0.03    -0.01   0.01  -0.01    -0.02   0.02  -0.03
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.01
    31   1    -0.17   0.48  -0.07     0.13  -0.02   0.02     0.60  -0.08   0.10
    32   1    -0.00  -0.48   0.04     0.01  -0.03   0.13     0.06  -0.16   0.63
    33   1    -0.49   0.06   0.50    -0.06  -0.04  -0.04    -0.30  -0.17  -0.17
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.2162              1511.1605              1551.6654
 Red. masses --      1.0529                 1.0509                 2.4396
 Frc consts  --      1.4036                 1.4139                 3.4607
 IR Inten    --      4.4911                12.5518                25.7721
 RamAct Fr= 1--      8.5632                 1.4333                 0.3265
  Dep-P Fr= 1--      0.7429                 0.4601                 0.7103
  Dep-U Fr= 1--      0.8525                 0.6302                 0.8306
 Alpha2 Fr= 1--      0.0010                 0.0084                 0.0002
 Beta2  Fr= 1--      1.2167                 0.1506                 0.0452
 AlphaG Fr= 1--     -0.0095                 0.0033                -0.0024
 Gamma2 Fr= 1--      1.0492                 1.7513                 0.1904
 Delta2 Fr= 1--     -0.2569                 0.4270                 0.2943
 Raman1 Fr= 1--      34.253                  5.733                  1.306
 ROA1   Fr= 1--      92.500                181.789                 27.693
 CID1   Fr= 1--       2.701                 31.707                 21.206
 Raman2 Fr= 1--      14.600                  1.807                  0.542
 ROA2   Fr= 1--      27.235                 38.616                  2.214
 CID2   Fr= 1--       1.865                 21.374                  4.083
 Raman3 Fr= 1--      29.201                  3.613                  1.085
 ROA3   Fr= 1--      92.500                181.789                 27.693
 CID3   Fr= 1--       3.168                 50.309                 25.532
 RC180  Fr= 1--       0.705                  0.260                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08   0.00   0.10
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.01
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.10   0.02  -0.09
     4   6     0.00  -0.00   0.01    -0.00   0.00  -0.00     0.15  -0.01  -0.02
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.09   0.00   0.12
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.10   0.02  -0.10
     7   6     0.00   0.01   0.00     0.02  -0.01  -0.00    -0.03   0.00   0.00
     8   6    -0.03  -0.02  -0.02    -0.01  -0.04   0.02    -0.00  -0.01   0.00
     9   6     0.00  -0.02  -0.03    -0.00  -0.02   0.01     0.00   0.00  -0.00
    10   6    -0.03   0.01   0.00    -0.00  -0.02   0.03     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03  -0.00   0.01
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.00  -0.01    -0.01  -0.00   0.01     0.38  -0.02  -0.20
    16   1    -0.00   0.00  -0.00    -0.01   0.00   0.00     0.41  -0.05   0.13
    17   1     0.00   0.00  -0.01    -0.01   0.00   0.01     0.44  -0.02  -0.24
    18   1    -0.01   0.00  -0.01    -0.00  -0.00  -0.00     0.45  -0.05   0.14
    19   1     0.03   0.01   0.01    -0.08   0.06  -0.09    -0.04   0.02  -0.01
    20   1    -0.03  -0.04  -0.01    -0.04   0.10   0.07    -0.05   0.02   0.02
    21   1     0.02   0.05  -0.01     0.05   0.06   0.04     0.01   0.00  -0.00
    22   1    -0.31  -0.07  -0.03    -0.04   0.31  -0.28    -0.01   0.01  -0.01
    23   1     0.21   0.41   0.06    -0.12   0.25   0.19    -0.00   0.01   0.01
    24   1     0.20   0.01   0.44     0.17  -0.15  -0.16     0.02  -0.01  -0.00
    25   1     0.28   0.29  -0.03     0.32  -0.12  -0.18     0.00  -0.01  -0.00
    26   1    -0.09  -0.23  -0.17     0.01   0.40  -0.37     0.00   0.02  -0.01
    27   1     0.33  -0.10   0.27    -0.31   0.17   0.13    -0.02   0.01   0.00
    28   1     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.04   0.02  -0.00
    29   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01  -0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.04   0.01
    32   1     0.00  -0.00   0.02    -0.00  -0.00  -0.00     0.00   0.06   0.01
    33   1    -0.01  -0.00  -0.01    -0.00   0.00   0.00     0.05  -0.00  -0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.4302              1658.3243              1805.7836
 Red. masses --      6.0491                 5.7940                 9.5413
 Frc consts  --      9.3353                 9.3879                18.3312
 IR Inten    --      0.2512                 1.2424               272.4996
 RamAct Fr= 1--      1.3707               181.7009                23.1322
  Dep-P Fr= 1--      0.7326                 0.4506                 0.1781
  Dep-U Fr= 1--      0.8457                 0.6213                 0.3024
 Alpha2 Fr= 1--      0.0004                 1.1111                 0.3327
 Beta2  Fr= 1--      0.1932                18.8147                 1.1658
 AlphaG Fr= 1--     -0.0203                -1.2186                -0.7667
 Gamma2 Fr= 1--      0.0572               -11.7286                -4.2954
 Delta2 Fr= 1--      0.0282                -0.7962                 1.0370
 Raman1 Fr= 1--       5.483                726.803                 92.529
 ROA1   Fr= 1--       6.397              -1151.422               -379.172
 CID1   Fr= 1--       1.167                 -1.584                 -4.098
 Raman2 Fr= 1--       2.318                225.776                 13.990
 ROA2   Fr= 1--       1.148               -275.116               -111.385
 CID2   Fr= 1--       0.495                 -1.219                 -7.962
 Raman3 Fr= 1--       4.637                451.553                 27.980
 ROA3   Fr= 1--       6.397              -1151.422               -379.172
 CID3   Fr= 1--       1.380                 -2.550                -13.552
 RC180  Fr= 1--       0.691                  0.243                 -0.395
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.01  -0.22     0.27  -0.02  -0.11    -0.01   0.00   0.00
     2   6     0.01  -0.02   0.35    -0.21   0.02   0.03     0.00  -0.00   0.00
     3   6     0.12  -0.03   0.21    -0.28   0.03  -0.06     0.01  -0.00   0.00
     4   6    -0.04   0.03  -0.35     0.19  -0.02  -0.01    -0.02   0.00  -0.00
     5   6    -0.07  -0.01   0.21    -0.28   0.02   0.10     0.01   0.00   0.00
     6   6    -0.11   0.02  -0.19     0.30  -0.03   0.05    -0.01   0.00  -0.01
     7   6     0.01   0.00  -0.04     0.03  -0.01  -0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.01     0.01   0.01  -0.00     0.00  -0.00   0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.02  -0.01   0.04    -0.02  -0.00   0.00    -0.01   0.03  -0.05
    12   6     0.00   0.01  -0.01     0.00   0.01   0.02     0.23  -0.14   0.65
    13   8     0.00  -0.00   0.01    -0.00  -0.00  -0.01    -0.14   0.06  -0.42
    14   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.01  -0.06
    15   1    -0.32   0.03   0.05    -0.25   0.01   0.26     0.00   0.00  -0.01
    16   1    -0.33   0.03   0.01     0.28  -0.04   0.20    -0.02   0.01  -0.01
    17   1     0.28  -0.02  -0.02     0.28  -0.01  -0.29     0.02  -0.02  -0.01
    18   1     0.28  -0.02  -0.02    -0.31   0.04  -0.23     0.02  -0.00   0.01
    19   1     0.16   0.04  -0.02     0.03   0.01  -0.01     0.00   0.00   0.00
    20   1    -0.23  -0.02   0.07     0.01   0.00   0.01    -0.00  -0.00  -0.00
    21   1    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00     0.00  -0.00   0.00
    22   1    -0.02  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.01   0.00   0.02    -0.01   0.01   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.01   0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    27   1     0.01  -0.01   0.00     0.01  -0.01  -0.01     0.00  -0.00   0.00
    28   1    -0.27   0.03  -0.03    -0.02   0.01  -0.00    -0.11   0.20  -0.06
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    30   1    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.07   0.27   0.37
    31   1    -0.02  -0.02  -0.00     0.02  -0.00   0.00     0.02  -0.05   0.02
    32   1    -0.00   0.01  -0.02    -0.00   0.03   0.01     0.02  -0.03   0.02
    33   1     0.02   0.00   0.00     0.02   0.00  -0.00    -0.06  -0.07  -0.08
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.9853              3018.4685              3020.1949
 Red. masses --      1.0811                 1.0503                 1.0404
 Frc consts  --      5.7477                 5.6383                 5.5912
 IR Inten    --      3.0440                 8.8326                41.0008
 RamAct Fr= 1--    146.4592                14.9869                28.3426
  Dep-P Fr= 1--      0.1906                 0.6919                 0.3114
  Dep-U Fr= 1--      0.3202                 0.8179                 0.4750
 Alpha2 Fr= 1--      2.0389                 0.0153                 0.2808
 Beta2  Fr= 1--      7.8155                 2.0429                 2.2436
 AlphaG Fr= 1--     -1.0898                -0.1023                 0.2974
 Gamma2 Fr= 1--    -10.4023                 6.8194                -0.0604
 Delta2 Fr= 1--     -6.1509                 2.0130                 3.1750
 Raman1 Fr= 1--     585.837                 59.948                113.370
 ROA1   Fr= 1--   -1195.455                719.083                 95.802
 CID1   Fr= 1--      -2.041                 11.995                  0.845
 Raman2 Fr= 1--      93.786                 24.515                 26.923
 ROA2   Fr= 1--    -200.449                147.562                -26.850
 CID2   Fr= 1--      -2.137                  6.019                 -0.997
 Raman3 Fr= 1--     187.572                 49.030                 53.847
 ROA3   Fr= 1--   -1195.455                719.083                 95.802
 CID3   Fr= 1--      -6.373                 14.666                  1.779
 RC180  Fr= 1--      -0.360                  0.636                 -0.050
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01  -0.01   0.01    -0.03   0.04  -0.00     0.01  -0.02   0.00
     8   6    -0.03   0.03  -0.06    -0.00   0.00  -0.01    -0.00   0.00   0.00
     9   6     0.00  -0.00   0.01     0.03  -0.01   0.00     0.03  -0.01   0.00
    10   6     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.03
    11   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00   0.00  -0.01    -0.00   0.00   0.01     0.00  -0.00  -0.00
    19   1    -0.00   0.01   0.02     0.12  -0.35  -0.42    -0.06   0.16   0.19
    20   1    -0.10   0.09  -0.21     0.21  -0.18   0.45    -0.10   0.09  -0.23
    21   1     0.39  -0.34   0.78     0.04  -0.04   0.08     0.00  -0.00   0.00
    22   1     0.00  -0.03  -0.03    -0.04   0.21   0.25    -0.03   0.19   0.22
    23   1    -0.06   0.05  -0.11    -0.19   0.16  -0.36    -0.17   0.14  -0.33
    24   1     0.01   0.03  -0.00    -0.12  -0.25   0.07    -0.12  -0.26   0.07
    25   1    -0.07   0.06  -0.16    -0.03   0.03  -0.06     0.22  -0.19   0.47
    26   1     0.00  -0.01   0.00     0.02  -0.01  -0.00    -0.29   0.05   0.03
    27   1     0.01   0.00  -0.00    -0.01  -0.02   0.01     0.16   0.31  -0.09
    28   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.7509              3047.3436              3056.3047
 Red. masses --      1.0439                 1.0356                 1.1034
 Frc consts  --      5.6349                 5.6659                 6.0725
 IR Inten    --     49.9365                25.4584                15.5849
 RamAct Fr= 1--    434.2629               239.9914                32.1460
  Dep-P Fr= 1--      0.0109                 0.0682                 0.7043
  Dep-U Fr= 1--      0.0217                 0.1277                 0.8265
 Alpha2 Fr= 1--      9.4065                 4.5385                 0.0255
 Beta2  Fr= 1--      1.5672                 5.1081                 4.4282
 AlphaG Fr= 1--      1.4854                -0.4360                 0.2589
 Gamma2 Fr= 1--      1.5057                 0.7179                 1.3284
 Delta2 Fr= 1--      0.0596                 3.5518                -1.5867
 Raman1 Fr= 1--    1737.052                959.966                128.584
 ROA1   Fr= 1--     146.454                182.575                 76.753
 CID1   Fr= 1--       0.084                  0.190                  0.597
 Raman2 Fr= 1--      18.806                 61.298                 53.139
 ROA2   Fr= 1--      35.660                -11.186                 44.576
 CID2   Fr= 1--       1.896                 -0.182                  0.839
 Raman3 Fr= 1--      37.612                122.595                106.278
 ROA3   Fr= 1--     146.454                182.575                 76.753
 CID3   Fr= 1--       3.894                  1.489                  0.722
 RC180  Fr= 1--      -0.957                 -0.745                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.02   0.03   0.00     0.00  -0.00   0.00    -0.01  -0.01  -0.09
     8   6    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   6    -0.03   0.01   0.00     0.00  -0.00   0.00     0.00   0.00   0.02
    10   6    -0.01  -0.02  -0.03    -0.00  -0.00   0.00     0.00  -0.01   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
    16   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.01
    19   1     0.08  -0.24  -0.28    -0.00   0.00   0.00    -0.15   0.43   0.49
    20   1     0.10  -0.10   0.23    -0.00   0.00  -0.00     0.28  -0.26   0.59
    21   1     0.08  -0.07   0.16    -0.00   0.00  -0.00     0.06  -0.05   0.12
    22   1     0.04  -0.20  -0.23    -0.00   0.00   0.00     0.01  -0.08  -0.09
    23   1     0.15  -0.12   0.28    -0.00   0.00  -0.00    -0.04   0.04  -0.08
    24   1     0.12   0.25  -0.07    -0.00  -0.00   0.00     0.02   0.04  -0.00
    25   1     0.20  -0.17   0.42    -0.00   0.00  -0.00    -0.02   0.01  -0.03
    26   1    -0.28   0.05   0.04     0.00  -0.00  -0.00    -0.05   0.01   0.01
    27   1     0.15   0.30  -0.09    -0.00  -0.00   0.00     0.04   0.07  -0.02
    28   1     0.00  -0.00  -0.00    -0.01   0.00   0.04     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.03  -0.04  -0.01    -0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.09   0.01   0.45     0.00  -0.00  -0.00
    32   1     0.00  -0.00  -0.00     0.66  -0.06  -0.10     0.00  -0.00  -0.00
    33   1    -0.00   0.00  -0.00    -0.19   0.48  -0.25     0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.8342              3077.6546              3084.2027
 Red. masses --      1.0840                 1.0993                 1.0993
 Frc consts  --      6.0228                 6.1350                 6.1609
 IR Inten    --      6.7788                10.3502                56.1302
 RamAct Fr= 1--     68.8414                23.7286               119.7691
  Dep-P Fr= 1--      0.2011                 0.7395                 0.4503
  Dep-U Fr= 1--      0.3349                 0.8502                 0.6210
 Alpha2 Fr= 1--      0.9320                 0.0042                 0.7333
 Beta2  Fr= 1--      3.8428                 3.3625                12.3961
 AlphaG Fr= 1--      0.0106                 0.0251                 1.4872
 Gamma2 Fr= 1--     -1.1104                11.1922                -6.6638
 Delta2 Fr= 1--     -3.6968                -3.7704                15.2077
 Raman1 Fr= 1--     275.366                 94.914                479.076
 ROA1   Fr= 1--    -224.892                953.797               -153.083
 CID1   Fr= 1--      -0.817                 10.049                 -0.320
 Raman2 Fr= 1--      46.113                 40.350                148.753
 ROA2   Fr= 1--       2.925                298.776               -281.594
 CID2   Fr= 1--       0.063                  7.405                 -1.893
 Raman3 Fr= 1--      92.226                 80.699                297.506
 ROA3   Fr= 1--    -224.892                953.797               -153.083
 CID3   Fr= 1--      -2.438                 11.819                 -0.515
 RC180  Fr= 1--      -0.330                  0.700                  0.242
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.02
     9   6    -0.00   0.00   0.00    -0.00   0.02  -0.07     0.01   0.01   0.06
    10   6     0.00   0.00  -0.00     0.01  -0.05   0.03     0.01  -0.05   0.04
    11   6     0.02  -0.00  -0.08     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.01
    16   1     0.01   0.00  -0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.01
    19   1     0.00  -0.00  -0.00    -0.01   0.02   0.02     0.02  -0.06  -0.07
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.03    -0.04   0.05  -0.10
    21   1     0.00  -0.00   0.00     0.02  -0.01   0.03    -0.08   0.07  -0.17
    22   1     0.00  -0.00  -0.00    -0.05   0.25   0.27     0.07  -0.32  -0.36
    23   1    -0.00   0.00  -0.00     0.25  -0.20   0.44    -0.20   0.17  -0.35
    24   1     0.00   0.00  -0.00    -0.16  -0.31   0.07     0.04   0.08  -0.01
    25   1     0.00  -0.00   0.00    -0.16   0.12  -0.33    -0.18   0.14  -0.37
    26   1    -0.00   0.00   0.00    -0.17   0.02   0.04    -0.16   0.02   0.03
    27   1     0.00   0.00  -0.00     0.22   0.43  -0.11     0.24   0.46  -0.12
    28   1    -0.20   0.05   0.96    -0.00   0.00   0.00     0.00  -0.00  -0.00
    29   6    -0.01   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03  -0.00  -0.16     0.00  -0.00  -0.00     0.00   0.00  -0.00
    32   1     0.04  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1    -0.01   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.0228              3103.5788              3111.0113
 Red. masses --      1.1014                 1.1003                 1.1023
 Frc consts  --      6.1959                 6.2442                 6.2857
 IR Inten    --     42.0010                32.9279                27.0381
 RamAct Fr= 1--    128.7621                53.8420               122.6973
  Dep-P Fr= 1--      0.6564                 0.7057                 0.6694
  Dep-U Fr= 1--      0.7926                 0.8274                 0.8019
 Alpha2 Fr= 1--      0.2155                 0.0415                 0.1756
 Beta2  Fr= 1--     17.0089                 7.4252                16.3995
 AlphaG Fr= 1--      0.0720                 0.1785                 0.1056
 Gamma2 Fr= 1--     -5.5590                10.7760                 0.7008
 Delta2 Fr= 1--    -10.6485                 1.4999                -4.4880
 Raman1 Fr= 1--     515.048                215.368                490.789
 ROA1   Fr= 1--    -874.419               1082.491                -76.339
 CID1   Fr= 1--      -1.698                  5.026                 -0.156
 Raman2 Fr= 1--     204.107                 89.103                196.794
 ROA2   Fr= 1--     -48.229                246.624                 52.724
 CID2   Fr= 1--      -0.236                  2.768                  0.268
 Raman3 Fr= 1--     408.214                178.205                393.587
 ROA3   Fr= 1--    -874.419               1082.491                -76.339
 CID3   Fr= 1--      -2.142                  6.074                 -0.194
 RC180  Fr= 1--       0.585                  0.655                  0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6    -0.02  -0.09  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6     0.01  -0.01   0.01    -0.09  -0.01   0.01     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    19   1    -0.00   0.02   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1    -0.02   0.02  -0.04     0.01  -0.01   0.03    -0.00  -0.00  -0.00
    22   1    -0.08   0.36   0.44    -0.00   0.02   0.02     0.00  -0.00  -0.00
    23   1    -0.06   0.03  -0.10     0.00  -0.00   0.00     0.00   0.00   0.00
    24   1     0.35   0.67  -0.19     0.02   0.03  -0.01    -0.00  -0.00   0.00
    25   1    -0.05   0.04  -0.11     0.05  -0.06   0.15    -0.00   0.00  -0.00
    26   1    -0.09   0.01   0.02     0.85  -0.15  -0.13    -0.01   0.00   0.00
    27   1     0.06   0.13  -0.03     0.18   0.39  -0.11    -0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.00  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.00
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.00  -0.20
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.05  -0.10
    33   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.21  -0.57   0.30
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.8835              3159.9802              3160.6451
 Red. masses --      1.1013                 1.0875                 1.0869
 Frc consts  --      6.3567                 6.3978                 6.3972
 IR Inten    --     12.8501                19.7361                 2.8607
 RamAct Fr= 1--     29.8886                12.1995               107.9575
  Dep-P Fr= 1--      0.6687                 0.1248                 0.6835
  Dep-U Fr= 1--      0.8015                 0.2219                 0.8120
 Alpha2 Fr= 1--      0.0431                 0.2009                 0.1263
 Beta2  Fr= 1--      3.9924                 0.4513                14.6105
 AlphaG Fr= 1--      0.0596                -0.0058                -0.1593
 Gamma2 Fr= 1--     -1.5729                -0.7761                 0.3892
 Delta2 Fr= 1--      2.2901                -0.7940                 2.5925
 Raman1 Fr= 1--     119.554                 48.798                431.830
 ROA1   Fr= 1--     -77.711                -99.912                120.322
 CID1   Fr= 1--      -0.650                 -2.047                  0.279
 Raman2 Fr= 1--      47.909                  5.415                175.326
 ROA2   Fr= 1--     -56.070                -12.273                -11.399
 CID2   Fr= 1--      -1.170                 -2.266                 -0.065
 Raman3 Fr= 1--      95.819                 10.830                350.652
 ROA3   Fr= 1--     -77.711                -99.912                120.322
 CID3   Fr= 1--      -0.811                 -9.225                  0.343
 RC180  Fr= 1--       0.603                 -0.556                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.02  -0.00   0.03    -0.03   0.01  -0.04
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.01   0.00  -0.03    -0.02  -0.00   0.04
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.02     0.01  -0.00   0.01
     6   6     0.00   0.00  -0.00     0.03   0.00  -0.06     0.02   0.00  -0.04
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.22   0.04  -0.33     0.33  -0.06   0.48
    16   1     0.01   0.00  -0.02    -0.18  -0.01   0.40     0.23   0.01  -0.50
    17   1    -0.02   0.00  -0.03    -0.17   0.03  -0.25    -0.12   0.02  -0.17
    18   1    -0.00  -0.00   0.01    -0.31  -0.01   0.67    -0.23  -0.01   0.50
    19   1    -0.00   0.00   0.00    -0.00   0.01   0.01    -0.00   0.01   0.01
    20   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.01  -0.01   0.01
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.01
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    26   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    28   1    -0.03   0.01   0.15    -0.00   0.00   0.01     0.01  -0.00  -0.02
    29   6     0.02   0.03  -0.09    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.15   0.04   0.84     0.00  -0.00  -0.01     0.00  -0.00  -0.02
    32   1    -0.19   0.02   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    33   1     0.15  -0.38   0.18    -0.00   0.00  -0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3177.1302              3183.9010              3723.5246
 Red. masses --      1.0937                 1.0931                 1.0639
 Frc consts  --      6.5045                 6.5287                 8.6911
 IR Inten    --     17.6129                 2.6693                62.9282
 RamAct Fr= 1--    116.5477               128.1981               152.6939
  Dep-P Fr= 1--      0.1506                 0.1399                 0.2579
  Dep-U Fr= 1--      0.2619                 0.2454                 0.4101
 Alpha2 Fr= 1--      1.7987                 2.0332                 1.7698
 Beta2  Fr= 1--      5.0864                 5.2436                10.4363
 AlphaG Fr= 1--      0.1595                -0.2695                -0.3429
 Gamma2 Fr= 1--      1.8919                 1.4829                -6.9636
 Delta2 Fr= 1--      0.9216                -0.2830                 0.1409
 Raman1 Fr= 1--     466.191                512.792                610.776
 ROA1   Fr= 1--     211.115                133.300               -663.994
 CID1   Fr= 1--       0.453                  0.260                 -1.087
 Raman2 Fr= 1--      61.036                 62.923                125.236
 ROA2   Fr= 1--      38.033                 37.853               -168.253
 CID2   Fr= 1--       0.623                  0.602                 -1.343
 Raman3 Fr= 1--     122.073                125.845                250.472
 ROA3   Fr= 1--     211.115                133.300               -663.994
 CID3   Fr= 1--       1.729                  1.059                 -2.651
 RC180  Fr= 1--      -0.476                 -0.509                 -0.180
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.05     0.01  -0.00   0.01    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.03   0.00  -0.06    -0.00  -0.00   0.01     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.01   0.00  -0.01    -0.05   0.01  -0.07     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.02   0.00  -0.03     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.05   0.03
    15   1     0.39  -0.07   0.57    -0.06   0.01  -0.09    -0.00   0.00  -0.00
    16   1    -0.29  -0.01   0.63     0.04   0.00  -0.09     0.00  -0.00  -0.00
    17   1     0.09  -0.02   0.13     0.51  -0.10   0.75     0.00  -0.00  -0.00
    18   1    -0.01  -0.00   0.01    -0.16  -0.01   0.33    -0.00   0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    28   1    -0.01   0.00   0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.26   0.83  -0.48
    31   1    -0.00   0.00   0.01    -0.00   0.00   0.03    -0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1362.553526919.063437175.91763
           X            0.99985   0.01701  -0.00326
           Y           -0.01688   0.99917   0.03720
           Z            0.00389  -0.03714   0.99930
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06357     0.01252     0.01207
 Rotational constants (GHZ):           1.32453     0.26084     0.25150
 Zero-point vibrational energy     745966.3 (Joules/Mol)
                                  178.29022 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     36.55    51.65    67.17    76.62    91.91
          (Kelvin)            163.68   219.59   299.66   323.31   325.69
                              358.69   361.81   415.88   464.20   509.66
                              553.06   591.73   603.86   612.08   650.37
                              791.80   815.65   891.64   924.52   957.65
                             1037.11  1084.57  1160.47  1185.88  1204.84
                             1227.86  1235.91  1254.31  1291.70  1347.06
                             1372.91  1385.04  1398.74  1405.85  1459.27
                             1505.21  1559.96  1578.85  1591.60  1638.07
                             1652.04  1671.33  1717.71  1743.94  1759.46
                             1779.54  1794.96  1842.01  1883.51  1897.80
                             1941.98  1961.92  1974.71  1978.13  2003.40
                             2019.21  2037.15  2047.33  2100.72  2137.27
                             2144.27  2146.94  2154.64  2156.44  2164.23
                             2174.22  2232.50  2328.56  2385.96  2598.12
                             4322.06  4342.90  4345.39  4354.82  4384.45
                             4397.34  4418.25  4428.06  4437.48  4445.85
                             4465.36  4476.05  4503.20  4546.51  4547.46
                             4571.18  4580.92  5357.32
 
 Zero-point correction=                           0.284124 (Hartree/Particle)
 Thermal correction to Energy=                    0.299822
 Thermal correction to Enthalpy=                  0.300766
 Thermal correction to Gibbs Free Energy=         0.239372
 Sum of electronic and zero-point Energies=           -656.740271
 Sum of electronic and thermal Energies=              -656.724573
 Sum of electronic and thermal Enthalpies=            -656.723629
 Sum of electronic and thermal Free Energies=         -656.785023
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.141             58.748            129.213
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.581
 Vibrational            186.363             52.786             54.758
 Vibration     1          0.593              1.985              6.160
 Vibration     2          0.594              1.982              5.473
 Vibration     3          0.595              1.979              4.953
 Vibration     4          0.596              1.976              4.693
 Vibration     5          0.597              1.972              4.334
 Vibration     6          0.607              1.938              3.204
 Vibration     7          0.619              1.900              2.639
 Vibration     8          0.642              1.828              2.059
 Vibration     9          0.649              1.803              1.921
 Vibration    10          0.650              1.801              1.908
 Vibration    11          0.662              1.764              1.735
 Vibration    12          0.663              1.760              1.720
 Vibration    13          0.686              1.694              1.480
 Vibration    14          0.708              1.630              1.297
 Vibration    15          0.730              1.567              1.147
 Vibration    16          0.753              1.503              1.022
 Vibration    17          0.775              1.446              0.922
 Vibration    18          0.782              1.427              0.893
 Vibration    19          0.787              1.415              0.874
 Vibration    20          0.811              1.356              0.790
 Vibration    21          0.906              1.139              0.543
 Vibration    22          0.923              1.103              0.510
 Vibration    23          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.787862-110       -110.103550       -253.522793
 Total V=0       0.383789D+21         20.584093         47.396625
 Vib (Bot)       0.230037-124       -124.638203       -286.990067
 Vib (Bot)    1  0.815306D+01          0.911321          2.098394
 Vib (Bot)    2  0.576517D+01          0.760812          1.751835
 Vib (Bot)    3  0.442934D+01          0.646339          1.488250
 Vib (Bot)    4  0.388076D+01          0.588916          1.356030
 Vib (Bot)    5  0.323127D+01          0.509374          1.172877
 Vib (Bot)    6  0.179884D+01          0.254993          0.587144
 Vib (Bot)    7  0.132754D+01          0.123048          0.283328
 Vib (Bot)    8  0.954280D+00         -0.020324         -0.046798
 Vib (Bot)    9  0.878514D+00         -0.056251         -0.129523
 Vib (Bot)   10  0.871448D+00         -0.059759         -0.137599
 Vib (Bot)   11  0.783122D+00         -0.106171         -0.244467
 Vib (Bot)   12  0.775575D+00         -0.110376         -0.254150
 Vib (Bot)   13  0.661935D+00         -0.179185         -0.412588
 Vib (Bot)   14  0.581724D+00         -0.235283         -0.541759
 Vib (Bot)   15  0.519410D+00         -0.284490         -0.655062
 Vib (Bot)   16  0.468909D+00         -0.328911         -0.757346
 Vib (Bot)   17  0.429768D+00         -0.366766         -0.844510
 Vib (Bot)   18  0.418456D+00         -0.378350         -0.871183
 Vib (Bot)   19  0.411029D+00         -0.386128         -0.889092
 Vib (Bot)   20  0.378746D+00         -0.421652         -0.970889
 Vib (Bot)   21  0.285073D+00         -0.545044         -1.255011
 Vib (Bot)   22  0.272315D+00         -0.564929         -1.300797
 Vib (Bot)   23  0.236049D+00         -0.626999         -1.443718
 Vib (V=0)       0.112057D+07          6.049440         13.929351
 Vib (V=0)    1  0.866838D+01          0.937938          2.159682
 Vib (V=0)    2  0.628681D+01          0.798431          1.838454
 Vib (V=0)    3  0.495747D+01          0.695260          1.600895
 Vib (V=0)    4  0.441283D+01          0.644718          1.484517
 Vib (V=0)    5  0.376973D+01          0.576310          1.327004
 Vib (V=0)    6  0.236704D+01          0.374206          0.861640
 Vib (V=0)    7  0.191858D+01          0.282980          0.651585
 Vib (V=0)    8  0.157734D+01          0.197924          0.455737
 Vib (V=0)    9  0.151083D+01          0.179217          0.412662
 Vib (V=0)   10  0.150470D+01          0.177450          0.408593
 Vib (V=0)   11  0.142913D+01          0.155071          0.357065
 Vib (V=0)   12  0.142278D+01          0.153137          0.352610
 Vib (V=0)   13  0.132955D+01          0.123706          0.284843
 Vib (V=0)   14  0.126707D+01          0.102802          0.236711
 Vib (V=0)   15  0.122096D+01          0.086702          0.199639
 Vib (V=0)   16  0.118548D+01          0.073892          0.170144
 Vib (V=0)   17  0.115932D+01          0.064203          0.147832
 Vib (V=0)   18  0.115200D+01          0.061453          0.141501
 Vib (V=0)   19  0.114726D+01          0.059662          0.137376
 Vib (V=0)   20  0.112725D+01          0.052022          0.119785
 Vib (V=0)   21  0.107556D+01          0.031634          0.072839
 Vib (V=0)   22  0.106935D+01          0.029118          0.067048
 Vib (V=0)   23  0.105292D+01          0.022395          0.051566
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.294432D+07          6.468985         14.895388
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888887766655444433322222211     
     2        87663109877542210                           051510999986210977651084321964309841776539755320526426552218528542205165432
     4        47100140481677084                           688214982050363252409908732428967464723468293747416307025014439196583443765
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX X X               X  XX                     
     X                X    X                              X                           X    X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000012700    0.000004108    0.000002110
      2        6           0.000003832   -0.000003949   -0.000007380
      3        6           0.000013699   -0.000002576    0.000000755
      4        6          -0.000020366   -0.000004231    0.000011014
      5        6          -0.000005743    0.000003624    0.000004170
      6        6           0.000006024   -0.000000305   -0.000001678
      7        6          -0.000024303    0.000024153   -0.000003980
      8        6           0.000004653   -0.000003215    0.000023074
      9        6          -0.000002592    0.000006428   -0.000003201
     10        6          -0.000001613   -0.000009465   -0.000016007
     11        6           0.000040442    0.000003018   -0.000008095
     12        6          -0.000008789    0.000014571   -0.000002467
     13        8           0.000003476   -0.000001409    0.000008463
     14        8           0.000001262   -0.000020050   -0.000011584
     15        1           0.000001000   -0.000002097   -0.000001753
     16        1          -0.000001688    0.000002540   -0.000001704
     17        1          -0.000001081    0.000001916   -0.000000008
     18        1          -0.000000212   -0.000002390    0.000002836
     19        1           0.000006289   -0.000006211    0.000000638
     20        1           0.000004256   -0.000012777    0.000001669
     21        1          -0.000001734    0.000001011   -0.000003171
     22        1          -0.000002522    0.000000341    0.000001864
     23        1           0.000003417   -0.000001134   -0.000001957
     24        1           0.000004705    0.000001067    0.000003888
     25        1           0.000000699    0.000001133   -0.000000059
     26        1          -0.000000260   -0.000002016    0.000000511
     27        1           0.000001306    0.000001178    0.000000453
     28        1          -0.000009673    0.000001666    0.000005288
     29        6           0.000008593   -0.000007335   -0.000006098
     30        1          -0.000001313    0.000004612   -0.000000603
     31        1          -0.000003081    0.000004579    0.000000327
     32        1          -0.000004225    0.000000154    0.000001640
     33        1          -0.000001758    0.000003064    0.000001044
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000040442 RMS     0.000008212
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.223143D+03 -0.123382D+01  0.545222D+00
      2  -0.123382D+01  0.134629D+03 -0.511942D-01
      3   0.545222D+00 -0.511942D-01  0.153473D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.765601D+01 -0.227799D+01  0.233434D+02
      2  -0.461691D+02  0.509257D+01  0.420998D+02
      3  -0.105332D+03 -0.305893D+02 -0.198998D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.237608D+03  0.373989D+02 -0.781339D+02
      2  -0.130860D+03 -0.381906D+01  0.349098D+02
      3  -0.106748D+03 -0.335798D+02  0.432241D+02
      4  -0.395190D+02  0.554218D+02  0.104660D+02
      5  -0.504040D+02  0.681062D+01  0.907822D+02
      6   0.710691D+01  0.117300D+02 -0.504050D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.131912D+02  0.845657D+00  0.142396D+00  0.188191D+01  0.227294D+01
      2   0.845657D+00  0.115338D+01 -0.521808D-01  0.227294D+01 -0.171665D+01
      3   0.142396D+00 -0.521808D-01  0.316628D+01  0.715710D+00  0.339781D+01
                 6             7             8             9            10 
      1   0.715710D+00  0.156007D+02  0.566876D+00 -0.156353D+01  0.342777D+02
      2   0.339781D+01  0.566876D+00  0.141315D+01  0.425776D+00  0.104651D+01
      3  -0.456252D+00 -0.156353D+01  0.425776D+00  0.113476D+00 -0.167612D+01
                11            12            13            14            15 
      1   0.104651D+01 -0.167612D+01 -0.179107D+01  0.500697D+01  0.532865D+00
      2   0.148237D+01 -0.280373D+00  0.500697D+01 -0.100646D+01 -0.191295D+00
      3  -0.280373D+00  0.323895D+01  0.532865D+00 -0.191295D+00 -0.695731D+00
                16            17            18            19            20 
      1  -0.429855D+01  0.472516D+00  0.944006D+00  0.155931D+02 -0.786127D+00
      2   0.472516D+00 -0.475671D+00 -0.826693D+00 -0.786127D+00 -0.127635D+01
      3   0.944006D+00 -0.826693D+00  0.762160D+00 -0.288920D+00  0.103010D+01
                21            22            23            24            25 
      1  -0.288920D+00 -0.213402D+00 -0.230108D+01  0.647103D+00  0.137007D+02
      2   0.103010D+01 -0.230108D+01 -0.248740D+00  0.350389D+01 -0.119526D+01
      3  -0.248643D+01  0.647103D+00  0.350389D+01  0.584046D+00  0.141710D+01
                26            27            28            29            30 
      1  -0.119526D+01  0.141710D+01 -0.324115D+02  0.161623D+00  0.325845D+00
      2   0.221328D+01  0.165448D+00  0.161623D+00 -0.146644D+01 -0.764531D-01
      3   0.165448D+00  0.610273D+00  0.325845D+00 -0.764531D-01 -0.262518D+01
                31            32            33            34            35 
      1   0.304887D+01 -0.554082D+01 -0.501113D-01  0.150377D+01 -0.127313D+00
      2  -0.554082D+01  0.585358D+00 -0.927226D-01 -0.127313D+00 -0.765660D+00
      3  -0.501113D-01 -0.927226D-01  0.177190D+00 -0.607734D+00 -0.353147D+00
                36            37            38            39            40 
      1  -0.607734D+00  0.109612D+02 -0.436108D+00 -0.292634D+00  0.496757D+00
      2  -0.353147D+00 -0.436108D+00 -0.111544D+01 -0.767861D+00 -0.173840D+01
      3   0.102933D+01 -0.292634D+00 -0.767861D+00 -0.243743D+01 -0.442681D+00
                41            42            43            44            45 
      1  -0.173840D+01 -0.442681D+00 -0.155325D+02  0.753495D+00  0.317232D+00
      2   0.765046D+00 -0.298495D+01  0.753495D+00 -0.154206D+01 -0.417504D-01
      3  -0.298495D+01  0.545171D-01  0.317232D+00 -0.417504D-01 -0.105833D+01
                46            47            48            49            50 
      1  -0.124514D+02  0.218588D+00  0.422286D+00  0.213946D+01  0.148919D+01
      2   0.218588D+00  0.953349D+00  0.104612D+00  0.148919D+01 -0.501929D+00
      3   0.422286D+00  0.104612D+00  0.122706D+01 -0.741436D+00 -0.338512D+01
                51            52            53            54            55 
      1  -0.741436D+00 -0.123235D+02 -0.253487D+00 -0.528447D+00 -0.176258D+02
      2  -0.338512D+01 -0.253487D+00 -0.163879D+01  0.381066D-01 -0.209054D+01
      3  -0.845107D+00 -0.528447D+00  0.381066D-01 -0.785647D+00  0.682564D+00
                56            57            58            59            60 
      1  -0.209054D+01  0.682564D+00 -0.897387D+01 -0.742458D+01  0.509357D+00
      2  -0.296002D+01  0.359796D+00 -0.742458D+01  0.299718D+00  0.156991D+01
      3   0.359796D+00 -0.204332D+01  0.509357D+00  0.156991D+01  0.308870D+01
                61            62            63            64            65 
      1   0.577739D+01  0.490605D+00 -0.408952D+01  0.760231D+00  0.250806D+01
      2   0.490605D+00  0.213856D+01  0.405361D+01  0.250806D+01  0.355127D+01
      3  -0.408952D+01  0.405361D+01 -0.949204D+00  0.265775D+01 -0.896024D+00
                66            67            68            69            70 
      1   0.265775D+01  0.140099D+02  0.695896D+01 -0.201672D+01  0.164578D+00
      2  -0.896024D+00  0.695896D+01  0.114766D+01 -0.184723D+01 -0.116227D+01
      3   0.246910D+01 -0.201672D+01 -0.184723D+01 -0.343650D+01  0.376327D+01
                71            72            73            74            75 
      1  -0.116227D+01  0.376327D+01  0.454204D+01 -0.149796D+01 -0.234155D+01
      2  -0.224656D+01 -0.381272D+01 -0.149796D+01 -0.337011D+01  0.114048D+01
      3  -0.381272D+01  0.321000D+01 -0.234155D+01  0.114048D+01 -0.234498D+01
                76            77            78            79            80 
      1  -0.427656D+01 -0.582430D+01  0.154126D+01 -0.214944D+01  0.126549D+01
      2  -0.582430D+01 -0.214994D+01  0.314964D+01  0.126549D+01  0.282749D+01
      3   0.154126D+01  0.314964D+01  0.355113D+01 -0.385436D+01  0.378065D+01
                81            82            83            84            85 
      1  -0.385436D+01  0.554540D+01 -0.256600D+01 -0.193461D+01 -0.427452D+01
      2   0.378065D+01 -0.256600D+01 -0.321990D+01  0.815472D+00 -0.423024D+01
      3   0.195072D-01 -0.193461D+01  0.815472D+00 -0.203058D+01  0.138609D+01
                86            87            88            89            90 
      1  -0.423024D+01  0.138609D+01 -0.146187D+01  0.120567D+01 -0.260887D+01
      2  -0.404452D+01  0.193570D+01  0.120567D+01  0.325628D+01  0.263353D+01
      3   0.193570D+01  0.289944D+01 -0.260887D+01  0.263353D+01 -0.312609D+01
                91            92            93            94            95 
      1   0.636547D+01  0.238015D+01 -0.346410D+00 -0.722107D+00  0.736554D+01
      2   0.238015D+01  0.251541D+01  0.806923D+00  0.736554D+01 -0.270960D+01
      3  -0.346410D+00  0.806923D+00  0.100719D+01  0.421012D+00  0.145755D+01
                96            97            98            99           100 
      1   0.421012D+00  0.407752D+01  0.486596D+00  0.152388D+01  0.353320D+01
      2   0.145755D+01  0.486596D+00  0.353356D+01 -0.304548D+00 -0.161162D+01
      3  -0.279017D+00  0.152388D+01 -0.304548D+00 -0.501876D+01  0.229840D+01
               101           102           103           104           105 
      1  -0.161162D+01  0.229840D+01 -0.162822D+01 -0.185465D+01 -0.422678D+00
      2  -0.487836D-01 -0.778679D+00 -0.185465D+01  0.373253D+01 -0.202109D+01
      3  -0.778679D+00  0.960191D+00 -0.422678D+00 -0.202109D+01 -0.492098D+00
               106           107           108           109           110 
      1   0.459335D+01 -0.223059D+01  0.250751D+01 -0.550039D+01  0.117470D+01
      2  -0.223059D+01  0.104307D+00 -0.171567D+01  0.117470D+01 -0.113116D+01
      3   0.250751D+01 -0.171567D+01  0.470959D+01 -0.402502D+01  0.508301D+00
               111           112           113           114           115 
      1  -0.402502D+01  0.112374D+01 -0.129756D+01  0.704001D+00 -0.107824D+02
      2   0.508301D+00 -0.129756D+01  0.252034D+00 -0.166273D+01  0.319266D+01
      3  -0.219887D+01  0.704001D+00 -0.166273D+01  0.965428D+00 -0.473774D+01
               116           117           118           119           120 
      1   0.319266D+01 -0.473774D+01  0.639557D+00  0.383159D+00  0.119615D+01
      2  -0.414370D+01  0.171312D+01  0.383159D+00  0.223560D+01 -0.176049D+00
      3   0.171312D+01 -0.937620D+01  0.119615D+01 -0.176049D+00  0.124002D+00
               121           122           123           124           125 
      1   0.225999D+01  0.158645D+01 -0.561485D+00  0.417372D+01 -0.233161D+01
      2   0.158645D+01 -0.445375D+01  0.305013D+01 -0.233161D+01  0.580427D+01
      3  -0.561485D+00  0.305013D+01  0.350060D+00 -0.501558D+00  0.194707D+01
               126           127           128           129           130 
      1  -0.501558D+00  0.332631D+01 -0.394774D+00  0.274114D+01 -0.134797D+01
      2   0.194707D+01 -0.394774D+00  0.418081D+00 -0.536863D+00  0.239173D+00
      3   0.308195D+01  0.274114D+01 -0.536863D+00  0.285829D+01 -0.517882D+00
               131           132           133           134           135 
      1   0.239173D+00 -0.517882D+00  0.295295D+01 -0.491723D+00  0.345774D+01
      2  -0.197390D+00  0.223389D+00 -0.491723D+00  0.913907D+00 -0.105446D+01
      3   0.223389D+00 -0.635610D+00  0.345774D+01 -0.105446D+01  0.675222D+01
               136           137           138           139           140 
      1  -0.219935D+01 -0.976482D-01  0.230077D+01  0.168778D+00  0.338811D-01
      2  -0.976482D-01 -0.151641D+00  0.709881D-01  0.338811D-01 -0.898125D-01
      3   0.230077D+01  0.709881D-01 -0.258979D+01 -0.925419D-01  0.135320D+00
               141           142           143           144           145 
      1  -0.925419D-01  0.219441D+01  0.266301D+00 -0.312629D+01 -0.346160D+01
      2   0.135320D+00  0.266301D+00  0.806679D+00 -0.569673D+00  0.441820D+00
      3  -0.280683D+00 -0.312629D+01 -0.569673D+00  0.864388D+01 -0.206993D+01
               146           147           148           149           150 
      1   0.441820D+00 -0.206993D+01  0.800476D+00 -0.156552D+00  0.461447D+00
      2  -0.446641D+00  0.221054D+00 -0.156552D+00  0.161236D+00 -0.150311D+00
      3   0.221054D+00 -0.199155D+01  0.461447D+00 -0.150311D+00  0.513779D+00
               151           152           153           154           155 
      1  -0.265442D+01  0.251691D+00 -0.291182D+01  0.228124D+01  0.622640D-01
      2   0.251691D+00 -0.787459D+00  0.402974D+00  0.622640D-01  0.186038D+00
      3  -0.291182D+01  0.402974D+00 -0.561893D+01 -0.217255D+01  0.169034D+00
               156           157           158           159           160 
      1  -0.217255D+01 -0.269176D+00 -0.242041D-01  0.118232D+00 -0.248264D+01
      2   0.169034D+00 -0.242041D-01 -0.766032D-01 -0.160203D+00 -0.103154D+00
      3   0.227262D+01  0.118232D+00 -0.160203D+00  0.170251D+00  0.310990D+01
               161           162           163           164           165 
      1  -0.103154D+00  0.310990D+01  0.287230D+01 -0.114300D+01 -0.144055D+01
      2  -0.747233D+00 -0.164146D+00 -0.114300D+01  0.139436D+01  0.550385D+00
      3  -0.164146D+00 -0.795213D+01 -0.144055D+01  0.550385D+00  0.737985D+00
               166           167           168           169           170 
      1  -0.152769D+01  0.257356D+01  0.101172D+01 -0.669653D+01  0.102969D+01
      2   0.257356D+01 -0.429203D+01 -0.238341D+01  0.102969D+01 -0.327112D+01
      3   0.101172D+01 -0.238341D+01 -0.190604D+01  0.252392D+01 -0.267105D+01
               171           172           173           174           175 
      1   0.252392D+01  0.260581D+01 -0.884840D+00  0.166911D+01 -0.280557D-01
      2  -0.267105D+01 -0.884840D+00  0.147038D+01 -0.714011D+00  0.167869D+01
      3  -0.301874D+01  0.166911D+01 -0.714011D+00  0.128044D+01 -0.613992D+00
               176           177           178           179           180 
      1   0.167869D+01 -0.613992D+00  0.458682D+01 -0.837737D+00  0.197981D+01
      2  -0.191279D+01  0.113322D+01 -0.837737D+00  0.202306D+01 -0.211650D+01
      3   0.113322D+01 -0.118917D+01  0.197981D+01 -0.211650D+01  0.349970D+01
               181           182           183           184           185 
      1  -0.196433D+01 -0.155194D+00 -0.165403D+01 -0.672836D+00 -0.989653D+00
      2  -0.155194D+00 -0.124981D+01  0.473347D+00 -0.989653D+00  0.144553D+01
      3  -0.165403D+01  0.473347D+00 -0.145193D+01  0.313808D+00 -0.111518D+01
               186           187           188           189           190 
      1   0.313808D+00 -0.280926D+01  0.191097D+00 -0.106367D+01  0.820976D+00
      2  -0.111518D+01  0.191097D+00 -0.142272D+01  0.185934D+01 -0.958214D+00
      3   0.204148D+01 -0.106367D+01  0.185934D+01 -0.539322D+01 -0.101375D+01
               191           192           193           194           195 
      1  -0.958214D+00 -0.101375D+01 -0.240412D+01  0.195959D+01  0.135991D+01
      2   0.761058D+00  0.414117D+00  0.195959D+01 -0.293334D+01 -0.255005D+01
      3   0.414117D+00  0.105474D+01  0.135991D+01 -0.255005D+01 -0.293553D+01
               196           197           198           199           200 
      1  -0.261916D+01  0.985896D+00  0.269009D+01  0.357180D+01 -0.836194D+00
      2   0.985896D+00 -0.258907D+01 -0.266724D+01 -0.836194D+00  0.106373D+01
      3   0.269009D+01 -0.266724D+01 -0.476715D+01  0.188086D+01 -0.598446D+00
               201           202           203           204           205 
      1   0.188086D+01 -0.172206D+01  0.176526D+01 -0.801810D+00  0.482312D+01
      2  -0.598446D+00  0.176526D+01 -0.112385D+01  0.663491D+00 -0.105097D+01
      3   0.164636D+01 -0.801810D+00  0.663491D+00 -0.141637D+01  0.266983D+01
               206           207           208           209           210 
      1  -0.105097D+01  0.266983D+01  0.418023D+01  0.275871D+01 -0.942634D+00
      2   0.124328D+01 -0.137392D+01  0.275871D+01  0.232550D+01 -0.780881D+00
      3  -0.137392D+01  0.359878D+01 -0.942634D+00 -0.780881D+00  0.920272D+00
               211           212           213           214           215 
      1   0.643055D+01  0.446834D+01 -0.169989D+01 -0.131193D+01 -0.101789D+01
      2   0.446834D+01  0.544484D+01 -0.160776D+01 -0.101789D+01 -0.136123D+01
      3  -0.169989D+01 -0.160776D+01  0.120410D+01  0.177546D+01  0.771491D+00
               216           217           218           219           220 
      1   0.177546D+01  0.137109D+01  0.200618D+00  0.179510D+01 -0.589767D+00
      2   0.771491D+00  0.200618D+00  0.101504D+01  0.113992D-01  0.632699D+00
      3  -0.115365D+01  0.179510D+01  0.113992D-01  0.227021D+01 -0.581740D+00
               221           222           223           224           225 
      1   0.632699D+00 -0.581740D+00  0.229861D+01  0.402897D-01  0.224133D+01
      2  -0.298638D+00  0.607327D+00  0.402897D-01  0.110463D+01 -0.152472D+00
      3   0.607327D+00 -0.172599D+01  0.224133D+01 -0.152472D+00  0.624073D+01
               226           227           228           229           230 
      1  -0.851017D+01  0.557394D+00  0.111340D+01  0.208899D+00 -0.119782D+01
      2   0.557394D+00 -0.205555D+01 -0.839082D+00 -0.119782D+01  0.121733D+01
      3   0.111340D+01 -0.839082D+00 -0.103744D+01 -0.520693D+00  0.915365D-01
               231           232           233           234           235 
      1  -0.520693D+00  0.108784D+01 -0.370615D+00 -0.506416D+00  0.232334D+01
      2   0.915365D-01 -0.370615D+00 -0.378489D-01  0.209859D+00  0.278090D+01
      3   0.754104D-01 -0.506416D+00  0.209859D+00  0.996404D+00  0.128844D+00
               236           237           238           239           240 
      1   0.278090D+01  0.128844D+00  0.286766D+01  0.396247D+01 -0.861434D-01
      2   0.325862D+01  0.952391D-01  0.396247D+01  0.865289D+01 -0.136715D+00
      3   0.952391D-01  0.773601D+00 -0.861434D-01 -0.136715D+00  0.753081D+00
               241           242           243           244           245 
      1  -0.977934D+00 -0.777914D+00  0.849692D+00  0.211616D+00 -0.463897D+00
      2  -0.777914D+00 -0.177547D+01  0.704936D+00 -0.463897D+00 -0.527374D+00
      3   0.849692D+00  0.704936D+00 -0.216971D+00  0.169473D+01 -0.110057D+00
               246           247           248           249           250 
      1   0.169473D+01 -0.462785D+00 -0.989517D+00 -0.102133D+00  0.294023D+01
      2  -0.110057D+00 -0.989517D+00  0.266467D+00  0.795735D+00 -0.142802D-01
      3  -0.125850D+01 -0.102133D+00  0.795735D+00  0.236763D-01 -0.208304D+01
               251           252           253           254           255 
      1  -0.142802D-01 -0.208304D+01  0.912133D+01 -0.465498D+00 -0.123958D+01
      2   0.120673D+01  0.173376D-01 -0.465498D+00 -0.378363D+01 -0.121180D-01
      3   0.173376D-01  0.647387D+01 -0.123958D+01 -0.121180D-01 -0.107235D+01
               256           257           258           259           260 
      1  -0.678374D+01 -0.457079D+01 -0.658489D+00 -0.471183D+01 -0.920588D+00
      2  -0.457079D+01  0.187433D+01 -0.255287D+01 -0.920588D+00 -0.366089D+01
      3  -0.658489D+00 -0.255287D+01  0.467759D+00 -0.125743D+01  0.122740D+01
               261           262           263           264           265 
      1  -0.125743D+01 -0.109196D+01  0.169739D+01  0.891102D-01  0.154278D+01
      2   0.122740D+01  0.169739D+01 -0.231861D+01  0.213640D-01 -0.309256D+01
      3   0.400978D+01  0.891102D-01  0.213640D-01 -0.298949D+00  0.136755D+00
               266           267           268           269           270 
      1  -0.309256D+01  0.136755D+00 -0.754273D+00  0.145136D+01 -0.466878D+00
      2   0.100689D+02 -0.260040D+00  0.145136D+01 -0.403937D+01  0.120183D+01
      3  -0.260040D+00  0.130074D+01 -0.466878D+00  0.120183D+01 -0.302551D+00
               271           272           273           274           275 
      1  -0.398968D+00  0.103037D+00 -0.624462D+00  0.631434D+00  0.258266D+00
      2   0.103037D+00  0.651045D+00  0.160753D+00  0.258266D+00 -0.579858D+00
      3  -0.624462D+00  0.160753D+00  0.367642D+00 -0.466115D-01 -0.612138D+00
               276           277           278           279           280 
      1  -0.466115D-01 -0.215112D+01 -0.582155D+00 -0.545267D+00 -0.160299D+02
      2  -0.612138D+00 -0.582155D+00 -0.178361D+01 -0.145308D+01 -0.220030D+01
      3  -0.728264D+00 -0.545267D+00 -0.145308D+01 -0.580662D+01  0.411783D+00
               281           282           283           284           285 
      1  -0.220030D+01  0.411783D+00  0.113658D+01 -0.984469D+00  0.895781D-01
      2  -0.154337D+01 -0.611160D-01 -0.984469D+00 -0.242736D+00  0.304072D+00
      3  -0.611160D-01 -0.951195D+00  0.895781D-01  0.304072D+00  0.818636D-01
               286           287           288           289           290 
      1   0.183621D+01  0.423601D+00 -0.132084D+01 -0.674010D-01 -0.732665D+00
      2   0.423601D+00  0.640609D+00 -0.301200D+00 -0.732665D+00  0.222958D+01
      3  -0.132084D+01 -0.301200D+00 -0.315143D-01  0.512515D+00 -0.273170D+00
               291           292           293           294           295 
      1   0.512515D+00 -0.105981D+01 -0.347797D-01  0.820073D-02  0.140543D+01
      2  -0.273170D+00 -0.347797D-01 -0.733525D+01  0.169507D+01  0.393743D+00
      3   0.443569D+00  0.820073D-02  0.169507D+01 -0.128031D+01  0.264969D-02
               296           297 
      1   0.393743D+00  0.264969D-02
      2   0.305869D+01 -0.157423D+01
      3  -0.157423D+01  0.824073D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.326697D+01  0.221638D+01  0.215738D+01  0.978317D+01  0.156562D+01
      2   0.624698D+01 -0.142899D+01  0.376935D+01 -0.218021D+01 -0.870743D+00
      3   0.166770D+02 -0.225273D+01 -0.871254D+00  0.107555D+02 -0.514048D+00
                 6             7             8             9            10 
      1  -0.219188D+01 -0.120538D+01  0.249607D+01  0.292092D+00 -0.504943D+01
      2  -0.389462D+00 -0.863669D+01  0.452934D+00 -0.845442D+00 -0.173949D+02
      3  -0.524996D+01 -0.154553D+02 -0.199558D+01  0.993178D+00 -0.333873D+02
                11            12            13            14            15 
      1  -0.734927D+00  0.164409D+01  0.184786D+01  0.596682D+00 -0.103456D+02
      2   0.444535D-01 -0.343167D+01  0.240551D+01 -0.216251D+01 -0.119273D+00
      3   0.829035D-01  0.659625D+00  0.109047D+02 -0.168239D+01  0.289959D+00
                16            17            18            19            20 
      1  -0.337620D+01 -0.262905D+01 -0.832386D+00 -0.385006D+01 -0.984414D+00
      2  -0.273472D+02 -0.306840D+01 -0.310761D+01 -0.741768D+01 -0.128009D-02
      3   0.350494D+01  0.499744D+00 -0.278639D+00 -0.157516D+02  0.742984D+00
                21            22            23            24            25 
      1  -0.118885D+01 -0.607230D+01  0.290629D+01  0.735929D+00 -0.435434D+00
      2   0.799969D+01 -0.272241D+01  0.957675D+00 -0.109353D+01 -0.107201D+02
      3   0.138501D-01  0.106023D+02  0.145995D+01  0.359067D+01 -0.139805D+02
                26            27            28            29            30 
      1   0.335287D+01  0.882999D+00  0.237517D+01 -0.254148D+00 -0.281417D+01
      2   0.646723D+00  0.207316D+01  0.134502D+02  0.100069D+01 -0.463351D+01
      3   0.480002D+01 -0.177914D+01  0.303957D+02 -0.883399D+00 -0.929750D+00
                31            32            33            34            35 
      1  -0.376044D+01  0.129929D+01 -0.104155D+02 -0.480479D+01 -0.172503D+01
      2   0.101940D+00  0.314335D+01  0.126503D+01 -0.302702D+02  0.175089D+01
      3   0.681255D+01  0.424038D+01 -0.606411D+00 -0.709735D+00 -0.434069D+01
                36            37            38            39            40 
      1  -0.859029D-01 -0.150248D+01  0.872949D+00 -0.127495D+01  0.752570D+01
      2  -0.450183D+00 -0.122823D+02 -0.116065D+01  0.564026D+01 -0.601007D+00
      3   0.352490D+01 -0.123223D+02 -0.324739D+00  0.141766D+01  0.139255D+02
                41            42            43            44            45 
      1  -0.259172D+01 -0.302541D+01  0.369831D+01  0.135158D+01 -0.116588D+01
      2  -0.207639D+01  0.129733D+00  0.700646D+01 -0.785644D-01 -0.392781D+01
      3   0.379065D+00 -0.369878D+01  0.162079D+02 -0.238186D+01 -0.177019D+01
                46            47            48            49            50 
      1   0.341654D+01 -0.133669D+01  0.167396D+01 -0.737487D+01 -0.198614D+01
      2   0.137606D+02  0.318339D+00  0.104906D+02 -0.136538D+01  0.108786D+01
      3   0.171016D+02 -0.127712D+01  0.105537D+01  0.127236D+02 -0.108100D+01
                51            52            53            54            55 
      1  -0.223406D+01  0.149350D+01  0.245869D+01 -0.242137D+00  0.403798D+01
      2  -0.199341D+01  0.477513D+01 -0.137966D+00  0.587901D+01  0.353228D+01
      3   0.350066D+01  0.135428D+02  0.822475D+00  0.117414D+01  0.184539D+02
                56            57            58            59            60 
      1   0.187357D+01 -0.109934D+01  0.555548D+01  0.420881D+01  0.184721D+01
      2   0.143212D+00 -0.347073D+01  0.152077D+01  0.601225D+01  0.141304D+02
      3   0.732128D+01 -0.965856D+00  0.398573D+02  0.731192D+01 -0.516636D+01
                61            62            63            64            65 
      1  -0.177146D+01  0.670634D+01 -0.164977D+01 -0.495611D+01 -0.115436D+01
      2  -0.243782D+02  0.149932D+02 -0.613286D+01  0.830004D+01 -0.292943D+01
      3  -0.871001D+01 -0.655077D+01 -0.961664D+01 -0.183111D+02 -0.187059D+02
                66            67            68            69            70 
      1  -0.154241D+01 -0.296249D+01 -0.954154D+00 -0.639821D-01  0.193125D+01
      2   0.147795D+02 -0.821713D+01 -0.618295D+01 -0.176206D+02  0.123518D+02
      3   0.512160D+01 -0.320526D+02 -0.585222D+01  0.568393D+01  0.104939D+02
                71            72            73            74            75 
      1   0.706217D+01 -0.875665D+00  0.163139D+01  0.211405D+01 -0.367336D+00
      2  -0.167687D+02  0.169185D+02 -0.872482D+01  0.515178D+01 -0.136731D+02
      3   0.830012D+01  0.162023D+02  0.866738D+01  0.171656D+02 -0.669665D+01
                76            77            78            79            80 
      1   0.398548D+01  0.853162D+00 -0.513288D+01 -0.248277D-01 -0.161693D+01
      2   0.637560D+01  0.138117D+02  0.225618D+02 -0.287006D+02  0.222436D+02
      3   0.376142D+02  0.109232D+02 -0.179717D+02 -0.691292D+01 -0.158258D+02
                81            82            83            84            85 
      1  -0.243489D+01  0.332841D+01 -0.445823D+01  0.469935D+01 -0.647016D+01
      2  -0.124005D+01 -0.146607D+02  0.659185D+01 -0.232002D+01  0.864892D+01
      3  -0.215308D+02  0.227385D+02  0.470141D+01 -0.780907D+01  0.136302D+02
                86            87            88            89            90 
      1  -0.993180D+01 -0.684459D+01  0.621203D+01 -0.515952D+00  0.896844D+01
      2   0.999944D+01  0.944047D+01 -0.880181D+01  0.843642D+01 -0.103884D+02
      3   0.852048D+01 -0.535212D+01 -0.906564D+01 -0.963646D+01 -0.127227D+02
                91            92            93            94            95 
      1   0.165722D+00  0.873804D+00  0.200748D+01  0.205330D+01 -0.855139D+00
      2  -0.575049D+01 -0.333388D+01  0.110385D+01  0.188700D+01 -0.943285D+01
      3  -0.279793D+01  0.278326D+01  0.282340D+01  0.380746D+02 -0.138382D+02
                96            97            98            99           100 
      1  -0.332082D+01  0.253028D+01  0.501571D+01 -0.199636D+01 -0.835264D+00
      2   0.544367D+00 -0.172413D+02  0.199443D+01  0.179254D+02  0.583805D+01
      3   0.559715D+01 -0.289944D+01  0.108819D+02 -0.252988D+01  0.126286D+02
               101           102           103           104           105 
      1  -0.645422D+01 -0.376377D+01 -0.123665D+01 -0.952997D-01  0.137733D+01
      2   0.523072D+00  0.359946D+01 -0.242372D+01  0.911049D+01  0.658976D+01
      3  -0.153029D+02 -0.218941D+01 -0.968473D+01  0.653490D+01 -0.413507D+01
               106           107           108           109           110 
      1  -0.721703D+01 -0.204933D+01 -0.452387D+01  0.423867D+01  0.379390D+01
      2  -0.783000D+01  0.707058D+01 -0.248075D+02  0.813855D+01 -0.117910D+01
      3  -0.102877D+02  0.948875D+01 -0.481863D+01 -0.318381D+01 -0.397399D+01
               111           112           113           114           115 
      1   0.303281D+01  0.744801D+00  0.370738D+00 -0.352778D+01  0.417159D+01
      2   0.895159D+01  0.576555D+00  0.546987D+01 -0.527201D+01  0.898233D+01
      3  -0.668691D+00 -0.148932D+01  0.258932D+01 -0.606716D+01  0.154298D+02
               116           117           118           119           120 
      1   0.904690D+01  0.112441D+02 -0.366712D+01  0.230500D+01 -0.388871D+00
      2  -0.502312D+01  0.369732D+02 -0.574954D+01  0.134965D+01  0.113089D+01
      3  -0.198151D+02  0.515576D+01 -0.605069D+00  0.788042D+01  0.171839D+01
               121           122           123           124           125 
      1  -0.343161D+00 -0.397582D+01 -0.370863D+01 -0.227283D+01  0.666716D+01
      2  -0.114807D+01 -0.108102D+02 -0.197834D+01 -0.160105D+01 -0.564759D+01
      3   0.685617D+01 -0.107852D+02  0.959494D+01 -0.536922D+01  0.175136D+02
               126           127           128           129           130 
      1  -0.811393D+01  0.222040D+01  0.195427D+01  0.201921D+01 -0.961519D+00
      2  -0.102298D+02 -0.593313D+01 -0.127513D+00 -0.104891D+01  0.181337D+01
      3   0.658428D+01 -0.313057D+01 -0.141023D+01 -0.190550D+01  0.281267D+01
               131           132           133           134           135 
      1  -0.717335D-01 -0.198885D+01  0.271218D+01  0.281945D+01  0.486772D+01
      2  -0.128881D+00 -0.139945D+00 -0.406620D+01 -0.925866D-01  0.134220D+01
      3   0.125729D+00  0.322779D+00 -0.286056D+01 -0.189680D+01 -0.206330D+01
               136           137           138           139           140 
      1   0.177188D+01 -0.159487D+01 -0.199733D+01  0.491769D+00  0.981245D-01
      2   0.480474D+01  0.275157D-01 -0.151393D+01 -0.462853D+00 -0.210783D+00
      3   0.144750D+01 -0.615828D+00 -0.162751D+01  0.977739D+00  0.195681D-01
               141           142           143           144           145 
      1  -0.190139D+01 -0.197790D+01  0.372489D+01  0.535329D+01 -0.228067D+01
      2   0.320284D+00 -0.469246D+01 -0.202339D+00 -0.913363D+00 -0.744954D+01
      3  -0.620607D-01 -0.137805D+01  0.159850D+01  0.191978D+01  0.235974D+01
               146           147           148           149           150 
      1   0.257408D+01 -0.147094D+01  0.306139D+00 -0.376244D+00 -0.113713D+01
      2   0.967646D+00 -0.131171D+01  0.620682D+00  0.361224D-01  0.285427D+00
      3  -0.141641D+01  0.139597D+01  0.155208D+00  0.592769D+00 -0.264204D+00
               151           152           153           154           155 
      1  -0.215364D+01  0.346865D+01 -0.347664D+01 -0.208326D+01 -0.154744D+01
      2  -0.434078D+01  0.329610D+00  0.115549D+01  0.487419D+01  0.448910D+00
      3   0.157405D+01 -0.225089D+01  0.200517D+01 -0.136446D+01 -0.793993D+00
               156           157           158           159           160 
      1   0.134300D+01  0.353096D+00 -0.121115D+00 -0.176596D+01  0.278542D+01
      2  -0.104834D+01 -0.159819D+00 -0.351940D+00  0.640398D-02 -0.440050D+01
      3   0.126723D+01  0.150152D+01  0.204490D+00  0.107338D-01  0.203222D+01
               161           162           163           164           165 
      1   0.371812D+01 -0.540361D+01 -0.963696D+00 -0.622285D-01  0.134338D+01
      2  -0.343702D+00 -0.235062D+01 -0.530775D+01  0.161565D+01  0.421762D+01
      3   0.186239D+01 -0.184689D+01 -0.431897D+00 -0.444491D+01 -0.107955D+00
               166           167           168           169           170 
      1   0.465410D+00 -0.123298D+01 -0.348627D+01  0.272801D+01 -0.100957D+01
      2   0.270053D+01 -0.842578D+01 -0.735569D+01  0.665782D+01 -0.995829D+01
      3  -0.397754D+01  0.106418D+02  0.548982D+01  0.429198D+01  0.956374D+01
               171           172           173           174           175 
      1  -0.385294D+01  0.166492D+01 -0.252659D+00  0.189761D+01 -0.142047D+01
      2  -0.970631D+01  0.642667D+01 -0.260249D+01  0.619930D+01 -0.181091D+01
      3   0.539889D+01 -0.259240D+00 -0.510049D+01  0.685935D+00 -0.268298D+01
               176           177           178           179           180 
      1   0.851001D+00 -0.309345D+01  0.192128D+01 -0.497045D+00  0.509174D+01
      2   0.334930D+01 -0.473879D+01  0.294784D+01 -0.761979D+01  0.130441D+02
      3   0.428210D+01 -0.232479D+01 -0.268524D+01 -0.617340D+01  0.420599D+01
               181           182           183           184           185 
      1   0.286838D+01  0.155980D+01  0.139288D+01  0.663152D+00 -0.565040D+00
      2  -0.108371D+02  0.155305D+01 -0.666398D+01  0.118334D+01 -0.512251D+01
      3  -0.224044D+01  0.374749D+01 -0.286997D+01  0.607545D+01 -0.561148D+01
               186           187           188           189           190 
      1  -0.202109D+01  0.159267D+01  0.170199D+01  0.308898D+01  0.128187D+01
      2   0.768911D+01 -0.103246D+02  0.709627D+01 -0.219244D+02 -0.507837D+01
      3   0.455816D+01 -0.336847D+01  0.509489D+01 -0.867776D+01  0.514293D+01
               191           192           193           194           195 
      1  -0.970208D+00 -0.324283D+00 -0.150230D+01  0.394637D+01  0.109080D+01
      2   0.159840D+01  0.573311D+01  0.406810D+01 -0.124588D+02 -0.159821D+02
      3  -0.508358D+01 -0.267401D+01 -0.814298D+01  0.163944D+02  0.135861D+02
               196           197           198           199           200 
      1  -0.114986D+01  0.473358D+01  0.223070D+01  0.125725D+00 -0.339759D-01
      2   0.997753D+01 -0.142137D+02 -0.241521D+02  0.126423D+02 -0.402744D+01
      3  -0.457752D+01  0.148457D+02  0.145669D+02  0.501827D+01 -0.722373D+01
               201           202           203           204           205 
      1   0.524516D+00 -0.741017D+00 -0.565735D-01 -0.116688D+01 -0.626864D-01
      2   0.120260D+02 -0.509051D+01  0.475773D+01 -0.930905D+01  0.148824D+02
      3   0.361707D+01 -0.786466D+01  0.658721D+01 -0.359686D+01  0.572340D+01
               206           207           208           209           210 
      1   0.152753D+01  0.728847D+00 -0.194983D+01 -0.195414D+01 -0.528874D+00
      2  -0.846168D+01  0.230272D+02 -0.178168D+01 -0.225641D+01  0.634950D+01
      3  -0.800687D+01  0.789495D+01 -0.130096D+02 -0.142185D+02  0.423069D+01
               211           212           213           214           215 
      1  -0.242129D+01 -0.442656D+01 -0.134132D+01 -0.561708D-01  0.178259D+01
      2  -0.445606D+01 -0.579297D+01  0.655892D+01  0.754729D+01  0.316489D+01
      3  -0.202320D+02 -0.303987D+02  0.832059D+01  0.502250D+01  0.777707D+01
               216           217           218           219           220 
      1   0.354029D+00 -0.362065D+01  0.176649D+01 -0.426337D+01  0.149445D+01
      2  -0.511126D+01  0.506663D+01  0.258993D+00  0.774054D+01 -0.559808D+00
      3  -0.356305D+01  0.422247D+00 -0.456338D+01  0.221826D+01 -0.193029D+01
               221           222           223           224           225 
      1  -0.224831D+01  0.285317D+01 -0.424607D+01  0.449160D+01 -0.120363D+02
      2   0.165822D+01 -0.664680D+01  0.260389D+01 -0.654328D+00  0.208148D+02
      3   0.255982D+01 -0.266549D+01  0.311144D+01 -0.500096D+01  0.325312D+01
               226           227           228           229           230 
      1  -0.371169D+01 -0.107332D+01  0.223663D+01 -0.484300D+00  0.388546D+00
      2   0.147388D+02 -0.293726D+01 -0.336595D+01 -0.168700D+01  0.164293D+01
      3  -0.219545D+02  0.582513D+01  0.516264D+01  0.617127D+01 -0.510602D+01
               231           232           233           234           235 
      1  -0.423497D+00  0.263087D+01  0.151479D+01 -0.154768D+01  0.181524D+01
      2  -0.108085D+00 -0.595843D+01  0.410783D+00  0.327583D+01 -0.116038D+01
      3  -0.118078D+01  0.398645D+01 -0.243581D-01 -0.199888D+01 -0.626468D+01
               236           237           238           239           240 
      1   0.283813D+01 -0.283308D+01  0.451498D+01  0.757571D+01 -0.432322D+01
      2  -0.153898D+01  0.390906D+01 -0.310192D+01 -0.364285D+01  0.391397D+01
      3  -0.947800D+01 -0.361633D+00 -0.605156D+01 -0.267980D+02 -0.172859D-01
               241           242           243           244           245 
      1  -0.218627D+01 -0.148931D+01  0.137889D+01  0.417110D+00 -0.577983D+00
      2   0.267176D+01  0.276710D+01 -0.110685D+01 -0.665501D+01  0.571208D+00
      3   0.163082D+01  0.590031D+01 -0.124590D+01 -0.109508D+01 -0.223055D+01
               246           247           248           249           250 
      1  -0.788855D+00 -0.368321D+00  0.625086D+00 -0.332715D+00 -0.122990D+01
      2   0.398893D+01  0.167137D+00 -0.153788D+01 -0.708527D-01  0.144345D+01
      3  -0.108390D+01 -0.131624D+01  0.102244D+01  0.219034D+01 -0.101522D+01
               251           252           253           254           255 
      1   0.332668D+01  0.259145D+01 -0.146676D+01  0.583275D+00 -0.291837D+01
      2  -0.206291D+00 -0.203981D+02  0.950287D+01  0.113441D+01  0.711299D+01
      3   0.329310D+01  0.167773D+01 -0.201026D+02 -0.166244D+02  0.198896D+01
               256           257           258           259           260 
      1  -0.140250D+01 -0.591927D+01  0.606628D+00 -0.649190D+00  0.579675D+01
      2   0.460205D+01  0.107107D+02 -0.348794D+01  0.490172D+01 -0.545710D+01
      3  -0.895331D+01  0.143650D+02 -0.957429D+01  0.991687D+00 -0.124209D+02
               261           262           263           264           265 
      1   0.847118D+01  0.796019D+00 -0.102175D+01  0.108925D+01 -0.242336D+01
      2  -0.190390D+02  0.915097D-01 -0.622716D+00  0.920806D+00 -0.896773D+00
      3   0.623967D+01  0.340926D+01 -0.535700D+01 -0.700098D+00 -0.517811D+01
               266           267           268           269           270 
      1   0.705598D+01 -0.424361D+01  0.108104D+01 -0.274717D+01  0.241389D+01
      2   0.245617D+01 -0.467408D+01  0.106332D+01 -0.430587D+01  0.153670D+01
      3   0.309297D+02 -0.491247D+00  0.322492D+01 -0.131196D+02  0.366328D+01
               271           272           273           274           275 
      1  -0.183327D+01 -0.512582D+00  0.924343D+00 -0.318083D+00 -0.164979D+01
      2   0.476257D+01 -0.303052D+00 -0.207243D+01  0.104209D+01  0.250376D+01
      3   0.410088D-01  0.157466D+01  0.143333D+01  0.110114D+01 -0.226405D+01
               276           277           278           279           280 
      1  -0.175122D+01  0.114325D+00  0.775814D+00 -0.118079D+02  0.811176D+00
      2   0.268066D+01 -0.232861D+01  0.520959D+01  0.238834D+02 -0.334375D+01
      3  -0.201375D+01  0.181357D+01 -0.549421D+01 -0.481482D+01  0.169376D+02
               281           282           283           284           285 
      1   0.453172D-01 -0.226872D+01  0.385809D+00  0.726616D+00 -0.422677D+00
      2   0.273384D+00  0.726938D+01 -0.833614D+00 -0.136590D+01  0.213086D+00
      3  -0.621756D+01 -0.120132D+01 -0.419573D+01  0.658652D+00  0.117154D+01
               286           287           288           289           290 
      1  -0.225754D+01  0.266488D+00 -0.342022D+00  0.153671D+01 -0.392873D+00
      2   0.428607D+01  0.909532D+00  0.527709D+00 -0.238197D+01  0.846286D+00
      3  -0.128686D+01  0.207906D+01  0.780382D+00 -0.461304D+01  0.835777D+01
               291           292           293           294           295 
      1   0.184763D+01 -0.175094D+00  0.402038D+01 -0.504202D+01  0.858327D+00
      2  -0.163670D+01  0.359092D-02 -0.613369D+01  0.465056D+01 -0.202931D+01
      3  -0.212116D+01  0.476982D+01 -0.270310D+02  0.680160D+01 -0.202001D+01
               296           297 
      1  -0.221060D+01  0.240331D+01
      2   0.538270D+01 -0.281552D+01
      3   0.106130D+02 -0.598317D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.604655D+01  0.169250D+01 -0.244155D+02  0.846577D+01 -0.127066D+02
      2   0.550511D+01 -0.243292D+01  0.727179D+01 -0.761279D+01  0.128629D+02
      3   0.541446D+00  0.740417D+00  0.171437D+02 -0.852978D+00 -0.156296D+00
      4   0.529227D+01  0.385809D+01  0.334696D+01  0.110248D+02 -0.301469D+01
      5  -0.106222D+02  0.328173D+01 -0.709065D+01  0.423303D+01  0.670443D+01
      6   0.251070D+01  0.424731D+01 -0.286317D+01  0.468339D+01 -0.973061D+01
                 6             7             8             9            10 
      1   0.102875D+02  0.378941D+02  0.330844D+01  0.712278D+01  0.549252D+02
      2  -0.114890D+02 -0.365301D+01 -0.558334D+01  0.342830D+01 -0.235817D+02
      3   0.120155D+01 -0.342411D+02  0.227490D+01 -0.105511D+02 -0.313435D+02
      4   0.608955D+01 -0.260380D+01  0.449938D+01  0.303615D+01 -0.123862D+02
      5   0.216054D+01 -0.460369D+00  0.210323D+01 -0.104077D+02 -0.123439D+02
      6   0.135755D+02  0.544749D+01  0.364068D+01  0.296649D+01  0.717237D+01
                11            12            13            14            15 
      1   0.683508D+01 -0.547369D+01  0.766052D+01  0.154701D+01  0.899168D+00
      2  -0.514729D+01  0.144259D+01 -0.127362D+02  0.903884D+01  0.124620D+01
      3  -0.168780D+01  0.403111D+01  0.507569D+01 -0.105858D+02 -0.214536D+01
      4  -0.600010D+00  0.408840D+00  0.222029D+02 -0.537887D+01 -0.106233D+01
      5  -0.552847D+00  0.106010D+02  0.466758D+01 -0.345124D+00 -0.258162D+01
      6   0.150784D+01 -0.751673D+01  0.887566D+00  0.181617D+01  0.550426D+01
                16            17            18            19            20 
      1  -0.933367D+01 -0.143647D+01 -0.193234D+02  0.443475D+01 -0.497871D+01
      2  -0.906407D+00  0.283433D+01 -0.752797D+00 -0.210810D+00  0.397386D+01
      3   0.102401D+02 -0.139786D+01  0.200762D+02 -0.422394D+01  0.100485D+01
      4   0.541759D+00 -0.135996D+01 -0.356803D+01 -0.413458D+01 -0.101162D+01
      5  -0.149099D+02 -0.332121D+01  0.469697D+00  0.948394D+01 -0.180947D+00
      6  -0.156854D+01 -0.188655D+01 -0.150441D+01 -0.161432D+01 -0.542555D+01
                21            22            23            24            25 
      1   0.238102D+02 -0.121715D+01 -0.109575D+02 -0.144789D+01 -0.243171D+02
      2  -0.108157D+02  0.240117D+01  0.774673D+01 -0.598148D+01 -0.279511D+01
      3  -0.129946D+02 -0.118402D+01  0.321080D+01  0.742937D+01  0.271122D+02
      4   0.107540D+01  0.146058D+02  0.339407D+01 -0.549613D+01 -0.401819D+01
      5  -0.122200D+02 -0.446551D+01 -0.480220D+01  0.205186D+01  0.482339D+01
      6   0.735177D+01 -0.431882D+01 -0.566800D+01  0.151840D+02 -0.274123D+01
                26            27            28            29            30 
      1   0.166122D+01  0.990928D+01  0.247798D+02 -0.122533D+01  0.318614D+01
      2  -0.331016D+01  0.594850D+01 -0.344027D+01  0.464626D+01  0.187736D+01
      3   0.164894D+01 -0.158578D+02 -0.213396D+02 -0.342093D+01 -0.506351D+01
      4  -0.741319D+01 -0.682858D+00  0.236643D+02  0.235085D+01  0.347093D+00
      5  -0.648440D+00  0.105804D+02  0.184473D+01  0.179073D+00  0.853796D+01
      6   0.616999D+01  0.694802D+00 -0.722104D+00 -0.222118D+01  0.379875D+01
                31            32            33            34            35 
      1  -0.325844D+01  0.283628D+01  0.135816D+01 -0.248896D+01  0.372070D+01
      2   0.540648D+01  0.648809D+01 -0.114138D+01 -0.111453D+01  0.422709D-01
      3  -0.214803D+01 -0.932437D+01 -0.216781D+00  0.360349D+01 -0.376297D+01
      4   0.213624D+02  0.192620D+01  0.170888D+01  0.504208D+00  0.620244D+01
      5   0.414687D+00  0.127510D+01 -0.605746D+00 -0.197109D+02 -0.807061D-01
      6  -0.354708D+01  0.982782D+00  0.325403D+01  0.162121D+01 -0.259037D+01
                36            37            38            39            40 
      1  -0.230606D+02  0.127221D+01 -0.851627D+00 -0.250414D+02 -0.325948D+01
      2   0.494093D+00 -0.124045D+01  0.177513D+01  0.952874D+01  0.137780D+01
      3   0.225665D+02 -0.317511D-01 -0.923506D+00  0.155127D+02  0.188168D+01
      4  -0.242315D+01 -0.199285D+01  0.115319D+01  0.647746D+00  0.546185D+01
      5  -0.105807D+01 -0.202341D+02  0.147062D+01 -0.243016D+01  0.215999D+01
      6  -0.346558D+01  0.465803D+01  0.468700D+01  0.453225D+01  0.677083D+01
                41            42            43            44            45 
      1  -0.840175D+01 -0.160250D+01  0.269964D+02 -0.459202D+01  0.117102D+02
      2   0.881718D+01  0.270471D+01  0.260776D+01  0.188494D+01  0.892019D+00
      3  -0.415429D+00 -0.110221D+01 -0.296042D+02  0.270708D+01 -0.126022D+02
      4   0.216119D+01  0.715005D+01  0.610758D+01  0.605912D+01  0.227785D+01
      5   0.447753D+01  0.238362D+01  0.131622D+02  0.792720D+00 -0.939422D+01
      6   0.291212D+01  0.903795D+01  0.282052D+00  0.379044D+01  0.494950D+01
                46            47            48            49            50 
      1  -0.307666D+01 -0.258937D+01  0.217575D+02  0.590816D+01 -0.115461D+02
      2   0.706239D+01  0.285622D+00 -0.812468D+01 -0.298253D+01  0.103055D+02
      3  -0.398573D+01  0.230374D+01 -0.136328D+02 -0.292562D+01  0.124064D+01
      4   0.334578D+01  0.153677D+01 -0.207957D+01  0.295411D+01 -0.238284D+00
      5   0.222253D+02 -0.164470D+01 -0.704035D+01 -0.660845D+01 -0.385343D+01
      6  -0.424628D+01 -0.269346D+01 -0.329957D-01 -0.368240D+01  0.723936D+01
                51            52            53            54            55 
      1  -0.121037D+02 -0.296456D+02 -0.453130D+01  0.123272D+02 -0.422639D+02
      2   0.852717D+01  0.397148D+01  0.437494D+01  0.633212D+01  0.191865D+02
      3   0.357653D+01  0.256741D+02  0.156355D+00 -0.186593D+02  0.230773D+02
      4  -0.526172D+01  0.420949D+01 -0.355603D+01 -0.347897D+00  0.106113D+01
      5  -0.265699D+00  0.107073D+02 -0.157467D+00  0.965342D+01  0.356572D+01
      6   0.131287D+02 -0.205695D+01  0.509719D+01  0.214564D+01 -0.621273D+01
                56            57            58            59            60 
      1  -0.935512D+01 -0.162590D+01 -0.515050D+02 -0.286199D+02  0.923756D+01
      2   0.568904D+01  0.126920D+01  0.282233D+02  0.122653D+02 -0.629057D+01
      3   0.366609D+01  0.356706D+00  0.232817D+02  0.163546D+02 -0.294699D+01
      4  -0.201261D+02  0.166321D+01 -0.505907D+02  0.812464D+01  0.113429D+02
      5   0.257554D+01 -0.154583D+02  0.737964D+01  0.119982D+02  0.230648D+02
      6  -0.100064D+01  0.547606D+01  0.349723D+01 -0.706263D+01 -0.103308D+02
                61            62            63            64            65 
      1   0.993664D+01  0.792222D+01 -0.120742D+02 -0.347140D+02  0.106561D+02
      2  -0.116004D+01 -0.418265D+01  0.324960D+01  0.245256D+02 -0.502568D+01
      3  -0.877660D+01 -0.373956D+01  0.882464D+01  0.101883D+02 -0.563042D+01
      4   0.117612D+01  0.141039D+02  0.334929D+02  0.132129D+02  0.270120D+02
      5  -0.322814D+02  0.298553D+02 -0.884187D+01  0.263990D+02 -0.580978D+01
      6   0.147278D+02 -0.117093D+02 -0.108244D+01  0.615976D+01 -0.137161D+00
                66            67            68            69            70 
      1   0.290216D+02  0.572697D+02  0.445864D+02 -0.120517D+02  0.285561D+02
      2  -0.141962D+02 -0.237304D+02 -0.186367D+02  0.333332D+01 -0.141569D+02
      3  -0.148254D+02 -0.335393D+02 -0.259497D+02  0.871837D+01 -0.143992D+02
      4  -0.384682D+01  0.491714D+02  0.645159D+01 -0.143139D+02 -0.704066D+01
      5   0.163855D+02 -0.180748D+02 -0.166014D+02 -0.281327D+02  0.306296D+02
      6   0.632478D+01 -0.343758D+01 -0.137330D+01 -0.597049D+01  0.967119D+00
                71            72            73            74            75 
      1  -0.719896D+01  0.380233D+02  0.472014D+02 -0.128681D+02 -0.293777D+02
      2  -0.328644D+01 -0.188721D+02 -0.279941D+02  0.342209D+01  0.138252D+02
      3   0.104854D+02 -0.191511D+02 -0.192073D+02  0.944603D+01  0.155525D+02
      4  -0.157680D+02 -0.266328D+02 -0.185076D+02 -0.373345D+02  0.125529D+02
      5  -0.287965D+02  0.210936D+02 -0.261415D+02  0.139735D+02 -0.249819D+02
      6  -0.476261D+01  0.813921D+01  0.239054D+01  0.654648D+01 -0.953864D+00
                76            77            78            79            80 
      1  -0.283502D+02 -0.477724D+02  0.198541D+02 -0.317366D+02  0.171563D+02
      2   0.740051D+01  0.240941D+02 -0.166475D+01  0.137824D+02 -0.791531D+00
      3   0.209497D+02  0.236783D+02 -0.181893D+02  0.179541D+02 -0.163647D+02
      4  -0.622159D+02 -0.246512D+02  0.327942D+02  0.154804D+02  0.283597D+02
      5   0.203649D+02  0.360740D+02  0.387891D+02 -0.426379D+02  0.394922D+02
      6   0.113536D+02  0.464513D+01 -0.676280D+01  0.271335D+00 -0.596226D+01
                81            82            83            84            85 
      1  -0.391387D+02  0.503848D+02 -0.102883D+02 -0.137592D+02 -0.155277D+02
      2   0.241668D+02 -0.336029D+02 -0.699065D+01  0.160281D+02 -0.999495D+01
      3   0.149719D+02 -0.167819D+02  0.172790D+02 -0.226885D+01  0.255227D+02
      4   0.379647D+02 -0.614901D+01 -0.290030D+02  0.160806D+01 -0.373730D+02
      5   0.426782D+00 -0.107759D+02  0.427180D+01 -0.168252D+02  0.806871D+01
      6  -0.622979D+01 -0.585510D+01 -0.178046D+00 -0.528917D+01  0.922401D+00
                86            87            88            89            90 
      1  -0.234031D+02 -0.121777D+01 -0.138738D+02 -0.183386D+01 -0.230154D+02
      2  -0.790208D+01 -0.782837D+00  0.175542D+02  0.479896D+01  0.271591D+02
      3   0.313052D+02  0.200061D+01 -0.368044D+01 -0.296510D+01 -0.414363D+01
      4  -0.384834D+02  0.146990D+02  0.401502D+01  0.250619D+02  0.144395D+02
      5   0.116820D+02  0.242313D+02 -0.244087D+02  0.211339D+02 -0.284271D+02
      6   0.574178D+01  0.100240D+02 -0.335963D+01  0.862351D+01 -0.293707D+01
                91            92            93            94            95 
      1   0.890740D+01 -0.360784D+01  0.483206D+00 -0.123910D+02 -0.218192D+02
      2  -0.110413D+02 -0.348292D+01 -0.298495D+01  0.261101D+01  0.407312D+01
      3   0.213390D+01  0.709076D+01  0.250175D+01  0.977997D+01  0.177461D+02
      4  -0.213898D+02 -0.200655D+02 -0.562439D+01 -0.535306D+02  0.961479D+01
      5  -0.764649D+00 -0.481447D+01 -0.662137D+01 -0.355377D+01 -0.109781D+02
      6  -0.221417D+01 -0.837087D+00 -0.320886D+01 -0.461739D+01 -0.249288D+01
                96            97            98            99           100 
      1  -0.145671D+01 -0.120658D+02 -0.375876D+01 -0.973794D+00 -0.522224D+01
      2   0.126191D+01 -0.540986D+01  0.339046D+00  0.117270D+02  0.374600D+01
      3   0.194796D+00  0.174756D+02  0.341971D+01 -0.107532D+02  0.147625D+01
      4  -0.110264D+02 -0.104332D+02 -0.240318D+02  0.513052D-01  0.967546D+01
      5   0.229290D+00 -0.102998D+02  0.134464D+01  0.382980D+02 -0.201246D+02
      6   0.510998D+00 -0.221919D+01  0.224296D+01  0.361610D+01  0.562262D+01
               101           102           103           104           105 
      1   0.399843D+01 -0.921430D+01  0.139781D+02  0.758041D+01  0.545552D+01
      2  -0.141436D+01  0.921652D+01 -0.111920D+02 -0.145204D+01 -0.918800D+01
      3  -0.258408D+01 -0.221943D-02 -0.278606D+01 -0.612838D+01  0.373248D+01
      4   0.103724D+01  0.604188D+01  0.715789D+01 -0.212827D+02  0.147673D+02
      5   0.554219D+01 -0.756317D+01 -0.115520D-01  0.145667D+02  0.143516D+02
      6  -0.466756D+01  0.581745D+01  0.563554D+01 -0.137066D+02 -0.905802D+01
               106           107           108           109           110 
      1  -0.308398D+02  0.736511D+01 -0.962127D+01  0.418736D+02 -0.627782D+01
      2   0.199574D+02 -0.477129D+01  0.118763D+02 -0.264623D+02  0.174901D+01
      3   0.108824D+02 -0.259382D+01 -0.225505D+01 -0.154113D+02  0.452882D+01
      4   0.163254D+02 -0.599074D+01  0.157232D+02 -0.152987D+02  0.158140D+02
      5  -0.289917D+02  0.140672D+02 -0.417112D+02  0.376413D+02 -0.465076D+01
      6   0.114559D+02 -0.162893D+02  0.137482D+02 -0.101803D+02  0.326315D+01
               111           112           113           114           115 
      1   0.269733D+02 -0.462812D+01  0.227486D+01  0.110213D+01  0.473249D+02
      2  -0.194366D+02 -0.251399D+00  0.107804D+01 -0.151941D+00 -0.282463D+02
      3  -0.753672D+01  0.487952D+01 -0.335290D+01 -0.950187D+00 -0.190786D+02
      4  -0.867035D+01  0.157301D+02 -0.489125D+01  0.125407D+02 -0.226527D+02
      5   0.271880D+02 -0.653590D+01  0.125444D+02 -0.103351D+02  0.484245D+02
      6  -0.612616D+01  0.487727D+01 -0.629375D+01  0.133045D+02 -0.125179D+02
               116           117           118           119           120 
      1  -0.320132D+01  0.106734D+02  0.179368D+01 -0.132658D+02 -0.982914D+01
      2  -0.262932D+01 -0.311878D+02 -0.157211D+01  0.161518D+02  0.431661D+01
      3   0.583065D+01  0.205143D+02 -0.221570D+00 -0.288599D+01  0.551253D+01
      4   0.304460D+02 -0.141902D+02 -0.213730D+01 -0.549313D+01  0.693856D+01
      5  -0.130711D+02  0.755340D+02 -0.869825D+01  0.219346D+01  0.465479D+01
      6   0.153419D+02 -0.280166D+02  0.486681D+01  0.858706D-01 -0.209935D+00
               121           122           123           124           125 
      1  -0.111485D+02 -0.767284D+01 -0.571831D+01 -0.132289D+02 -0.700684D+01
      2   0.155193D+02 -0.740680D+01  0.116333D+02 -0.179868D+00  0.217982D+02
      3  -0.437081D+01  0.150796D+02 -0.591495D+01  0.134088D+02 -0.147913D+02
      4  -0.547037D+01  0.355720D+02 -0.205681D+02  0.209596D+02 -0.385447D+02
      5   0.780782D+01 -0.207247D+02 -0.682875D+01  0.115166D+02 -0.150212D+02
      6  -0.551367D+01  0.205285D+02  0.108363D+02 -0.504013D+01  0.168872D+02
               126           127           128           129           130 
      1  -0.472786D+01  0.599352D+00  0.164874D+01 -0.356399D+01 -0.855773D+00
      2  -0.102524D+01 -0.652880D+01 -0.624355D+00 -0.615543D+01  0.149953D+01
      3   0.575310D+01  0.592944D+01 -0.102438D+01  0.971942D+01 -0.643755D+00
      4  -0.128594D+02 -0.575310D+01  0.419729D+01 -0.528621D+01  0.104046D+01
      5  -0.225267D+02  0.174369D+02 -0.302390D+01  0.175768D+02 -0.264468D+01
      6   0.173375D+02 -0.643544D+01  0.374977D+01 -0.699621D+01  0.188643D+01
               131           132           133           134           135 
      1  -0.168665D+01  0.161529D+01 -0.564120D+01  0.453510D+01 -0.212029D+02
      2  -0.312737D+00  0.840790D+00 -0.751044D+01 -0.617088D+00 -0.121274D+02
      3   0.199939D+01 -0.245608D+01  0.131516D+02 -0.391801D+01  0.333303D+02
      4  -0.151701D+01  0.244735D+01 -0.461024D+01  0.404931D+01 -0.667043D+01
      5   0.252842D+01 -0.346437D+01  0.179760D+02 -0.376983D+01  0.265965D+02
      6  -0.137134D+01  0.357213D+01 -0.725770D+01  0.751579D+01 -0.147685D+02
               136           137           138           139           140 
      1  -0.286671D+01 -0.159044D+00  0.589788D+01 -0.688180D+00 -0.169100D+01
      2  -0.560413D+01  0.552934D-01  0.613986D+01  0.989851D-01 -0.429795D+00
      3   0.847084D+01  0.103751D+00 -0.120377D+02  0.589195D+00  0.212080D+01
      4   0.284442D+01  0.203782D+01 -0.263957D+01  0.475381D+00 -0.160781D+00
      5  -0.116806D+02 -0.682090D+00  0.149296D+02 -0.498521D-01 -0.150605D+01
      6  -0.283546D+01 -0.193873D+01  0.316207D+01 -0.556491D+00 -0.676464D+00
               141           142           143           144           145 
      1   0.854628D+00  0.857021D+01  0.286146D+01 -0.326831D+02  0.295713D+01
      2   0.170098D+00  0.651320D+01 -0.612508D+00 -0.166705D+02 -0.501134D+01
      3  -0.102473D+01 -0.150834D+02 -0.224895D+01  0.493536D+02  0.205421D+01
      4  -0.108680D+01 -0.300281D+01 -0.267802D+01  0.418279D+01  0.830335D+00
      5  -0.198692D+00  0.139693D+02  0.151969D+01 -0.235510D+02  0.110711D+02
      6   0.287542D+01  0.447094D+01  0.688087D+01 -0.123966D+02  0.137142D+01
               146           147           148           149           150 
      1  -0.381174D+00 -0.160324D+01 -0.840518D+00 -0.470535D+00  0.152770D+01
      2   0.624428D+00 -0.410143D+01  0.667933D+00 -0.619212D+00  0.559775D+00
      3  -0.243254D+00  0.570467D+01  0.172585D+00  0.108975D+01 -0.208747D+01
      4   0.285599D+01  0.668723D+00  0.162319D+01 -0.110127D+01  0.537008D+00
      5  -0.104464D+01  0.104824D+02 -0.952639D+00  0.202017D+01 -0.199007D+01
      6   0.142275D+01  0.147061D+01  0.147066D+00 -0.730588D+00  0.120970D+01
               151           152           153           154           155 
      1  -0.422922D+01  0.671605D+00 -0.156189D+02  0.357201D+00  0.130545D+01
      2  -0.539758D+01  0.927918D+00 -0.920782D+01 -0.530815D+01 -0.908786D+00
      3   0.962680D+01 -0.159952D+01  0.248267D+02  0.495095D+01 -0.396661D+00
      4   0.106006D+01  0.271573D+01  0.127456D+01 -0.160336D+01  0.217578D+01
      5   0.130092D+02 -0.105265D+01  0.180475D+02 -0.991141D+01  0.433842D+00
      6   0.212072D+01  0.410262D+01  0.376562D+01  0.335581D+01 -0.168095D+01
               156           157           158           159           160 
      1   0.285716D+01 -0.930924D+00 -0.164570D+01  0.133803D+01  0.413915D+01
      2   0.506378D+01  0.499333D+00 -0.389931D+00  0.145735D+00  0.676652D+01
      3  -0.792094D+01  0.431591D+00  0.203563D+01 -0.148377D+01 -0.109057D+02
      4   0.217579D+01  0.115226D+01 -0.557718D+00 -0.119260D+01  0.152963D+01
      5   0.126139D+02  0.631004D+00 -0.194569D+01 -0.511263D+00  0.133549D+02
      6  -0.417766D+01 -0.117216D+01  0.231103D+00  0.221965D+01 -0.386215D+01
               161           162           163           164           165 
      1  -0.171558D+01 -0.249231D+02  0.131455D+02 -0.541105D+01 -0.678761D+01
      2   0.104212D+01 -0.133852D+02 -0.463993D+01  0.828728D+00  0.272450D+01
      3   0.673462D+00  0.383083D+02 -0.850556D+01  0.458232D+01  0.406311D+01
      4  -0.261019D+01 -0.275096D+01 -0.130214D+02  0.153428D+02  0.666839D+01
      5  -0.310233D+00 -0.213716D+02 -0.118859D+02  0.518220D+01  0.877053D+01
      6   0.562904D+01  0.105700D+02  0.550271D+01 -0.238816D+01 -0.278237D+01
               166           167           168           169           170 
      1  -0.306682D+01 -0.323053D+01 -0.344740D+01 -0.225046D+02 -0.558244D+01
      2  -0.292100D+01  0.126740D+02  0.585247D+01  0.979715D+01  0.640872D+01
      3   0.598782D+01 -0.944346D+01 -0.240507D+01  0.127074D+02 -0.826278D+00
      4   0.241452D+02 -0.319463D+02 -0.174441D+02  0.156478D+02 -0.241899D+02
      5   0.843031D+01 -0.159073D+02 -0.130931D+02  0.207664D+02 -0.182487D+02
      6  -0.630711D+01  0.127792D+02  0.105820D+02 -0.100057D+02  0.127163D+02
               171           172           173           174           175 
      1   0.460329D+00  0.175162D+02 -0.405355D+01  0.897100D+01  0.719027D+00
      2  -0.947346D+00 -0.866583D+01 -0.756555D-02 -0.440576D+01 -0.285956D+01
      3   0.487017D+00 -0.885041D+01  0.406111D+01 -0.456524D+01  0.214053D+01
      4  -0.211179D+02 -0.120309D+02  0.144461D+02 -0.861292D+01  0.145444D+02
      5  -0.208236D+02  0.154827D+02 -0.696067D+01  0.131802D+02 -0.610444D+01
      6   0.124480D+02 -0.520344D+01  0.256923D+01 -0.353653D+01  0.403943D+01
               176           177           178           179           180 
      1   0.174150D+01  0.607750D+00  0.203191D+02  0.578698D+00  0.202782D+01
      2   0.339610D+01 -0.231544D+01 -0.102430D+02 -0.245911D+01 -0.338167D+01
      3  -0.513760D+01  0.170769D+01 -0.100760D+02  0.188041D+01  0.135385D+01
      4  -0.159066D+02  0.938156D+01 -0.135034D+02  0.164673D+02 -0.181678D+02
      5   0.891637D+01 -0.913659D+01  0.184933D+02 -0.160564D+02  0.271597D+02
      6  -0.568658D+01  0.757607D+01 -0.687125D+01  0.900336D+01 -0.104656D+02
               181           182           183           184           185 
      1  -0.123240D+02  0.333680D+01 -0.159190D+02  0.995341D+00 -0.159737D+02
      2   0.369894D+01 -0.174295D+01  0.570728D+01 -0.114909D+01  0.909166D+01
      3   0.862501D+01 -0.159385D+01  0.102117D+02  0.153751D+00  0.688208D+01
      4  -0.212083D+01 -0.565482D+01  0.942056D+00 -0.321579D+01  0.761231D+01
      5  -0.863269D+01  0.144826D+01 -0.549562D+01  0.744010D+00 -0.565023D+01
      6  -0.461665D+01  0.197634D+01 -0.465279D+01  0.187790D+01 -0.598842D+01
               186           187           188           189           190 
      1   0.837647D+01 -0.264019D+02  0.824314D+01 -0.254690D+02  0.108826D+02
      2  -0.396739D+01  0.109403D+02 -0.181163D+01  0.476308D+00 -0.773687D+01
      3  -0.440908D+01  0.154615D+02 -0.643151D+01  0.249926D+02 -0.314570D+01
      4  -0.544814D+01 -0.122034D+00 -0.799729D+01  0.104001D+02 -0.103360D+02
      5   0.133092D+02 -0.229680D+01  0.119962D+02 -0.336803D+02 -0.132682D+02
      6   0.998325D+01 -0.274701D+01  0.788886D+01 -0.140504D+02  0.273438D+01
               191           192           193           194           195 
      1  -0.104729D+02 -0.112840D+02 -0.242183D+02  0.130464D+02  0.701551D+01
      2   0.628016D+01  0.737756D+01  0.151380D+02 -0.805005D+01 -0.940519D+01
      3   0.419276D+01  0.390644D+01  0.908030D+01 -0.499630D+01  0.238968D+01
      4   0.108527D+02  0.586425D+01  0.232639D+02 -0.305655D+02 -0.267117D+02
      5   0.693029D+01  0.155843D+02  0.173780D+02 -0.276949D+02 -0.329442D+02
      6  -0.183208D+01 -0.123785D+01 -0.470784D+01  0.843087D+01  0.853594D+01
               196           197           198           199           200 
      1  -0.244260D+02  0.409419D+01  0.152144D+02  0.474238D+02 -0.112856D+02
      2   0.182988D+02 -0.783547D+01 -0.221534D+02 -0.234187D+02  0.555943D+01
      3   0.612715D+01  0.374128D+01  0.693896D+01 -0.240051D+02  0.572617D+01
      4   0.112346D+02 -0.273149D+02 -0.273993D+02 -0.101808D+02  0.138336D+02
      5   0.337235D+02 -0.288411D+02 -0.519357D+02  0.229914D+02 -0.754056D+01
      6  -0.276124D+01  0.842783D+01  0.793378D+01 -0.631387D+00 -0.749909D+00
               201           202           203           204           205 
      1   0.246342D+02 -0.213469D+02  0.174756D+02 -0.993717D+01  0.566329D+02
      2  -0.115743D+02  0.104984D+02 -0.732111D+01  0.339067D+01 -0.288919D+02
      3  -0.130599D+02  0.108485D+02 -0.101545D+02  0.654650D+01 -0.277410D+02
      4  -0.748749D+01  0.216928D+02 -0.128016D+02  0.772822D+01 -0.120928D+02
      5   0.213683D+02 -0.990761D+01  0.734458D+01 -0.164398D+02  0.329747D+02
      6   0.156117D+00 -0.183205D+00 -0.140255D+01  0.288205D+01 -0.160983D+00
               206           207           208           209           210 
      1  -0.124237D+02  0.284894D+02  0.493276D+02  0.288643D+02 -0.897667D+01
      2   0.515669D+01 -0.165952D+02 -0.215750D+02 -0.118868D+02  0.515499D+01
      3   0.726704D+01 -0.118942D+02 -0.277526D+02 -0.169774D+02  0.382168D+01
      4   0.143617D+02 -0.150908D+02  0.360294D+02  0.318676D+02 -0.101048D+02
      5  -0.155894D+02  0.418158D+02 -0.149816D+02 -0.114901D+02  0.139815D+02
      6   0.243020D+01  0.195910D+00 -0.632259D+01 -0.501576D+01  0.287264D+01
               211           212           213           214           215 
      1   0.597545D+02  0.327594D+02 -0.129191D+02 -0.107381D+02 -0.744838D+01
      2  -0.240055D+02 -0.623843D+01  0.627000D+01  0.696523D+01  0.339573D+01
      3  -0.357489D+02 -0.265209D+02  0.664906D+01  0.377290D+01  0.405265D+01
      4   0.552814D+02  0.633480D+02 -0.186991D+02 -0.124433D+02 -0.154945D+02
      5  -0.228859D+02 -0.198897D+02  0.155096D+02  0.226157D+02  0.962997D+01
      6  -0.100051D+02 -0.119426D+02  0.795234D+01  0.515194D+01  0.735091D+01
               216           217           218           219           220 
      1   0.134590D+02  0.113973D+02 -0.138854D+01  0.121065D+02 -0.696787D+01
      2  -0.819063D+01 -0.992367D+01  0.384708D+01 -0.126495D+02  0.705805D+01
      3  -0.526840D+01 -0.147366D+01 -0.245854D+01  0.542977D+00 -0.901800D-01
      4   0.908622D+01  0.326119D+01  0.881796D+01  0.336030D+01  0.529806D+01
      5  -0.139365D+02  0.190650D+02  0.269367D+00  0.237717D+02 -0.644647D+01
      6  -0.423684D+01  0.376312D+01  0.215372D+01  0.513141D+01  0.810783D+00
               221           222           223           224           225 
      1   0.359050D+01 -0.248653D+01  0.146327D+02 -0.226877D+01  0.367482D+01
      2  -0.251340D+01  0.682258D+01 -0.154329D+02  0.501061D+01 -0.240740D+02
      3  -0.107710D+01 -0.433604D+01  0.800256D+00 -0.274184D+01  0.203991D+02
      4  -0.140006D+01  0.426524D+01  0.456294D+01  0.763868D+01  0.218600D+01
      5   0.594512D+01 -0.150234D+02  0.245135D+02 -0.148732D+01  0.532338D+02
      6  -0.145834D+01  0.499583D+00  0.555458D+01  0.430253D+01  0.137402D+02
               226           227           228           229           230 
      1  -0.548248D+02  0.136319D+02  0.122794D+02  0.748671D+01 -0.108720D+02
      2   0.304738D+02 -0.122024D+02 -0.700432D+01 -0.583667D+01  0.107114D+02
      3   0.243509D+02 -0.142955D+01 -0.527507D+01 -0.165004D+01  0.160532D+00
      4  -0.144568D+02 -0.413296D+01 -0.156897D+01  0.158629D+01  0.348458D+01
      5  -0.774161D+00 -0.403484D+01 -0.367511D+01 -0.137527D+01 -0.608402D+00
      6   0.317817D+01 -0.523099D+01 -0.484034D+01 -0.362509D+01  0.190749D+01
               231           232           233           234           235 
      1  -0.403433D+01  0.968354D+01 -0.287681D+01 -0.654210D+01  0.132317D+02
      2   0.255247D+01 -0.518041D+01  0.982420D+00  0.766339D+00  0.294214D+01
      3   0.148186D+01 -0.450314D+01  0.189439D+01  0.577576D+01 -0.161739D+02
      4  -0.116393D+01  0.989985D+00 -0.247087D+01 -0.136239D+01  0.276411D+02
      5  -0.213257D+01  0.169142D+01 -0.410120D+00  0.504127D+01  0.215804D+01
      6   0.167024D+01 -0.356948D+01  0.293632D+01  0.326211D+01  0.185424D+01
               236           237           238           239           240 
      1   0.125121D+02 -0.658252D+00  0.125841D+02 -0.172303D+01 -0.960611D+00
      2   0.668207D+01 -0.123388D+01  0.978531D+01  0.386226D+02 -0.116418D+01
      3  -0.191941D+02  0.189213D+01 -0.223694D+02 -0.368996D+02  0.212479D+01
      4   0.340112D+02  0.452416D+00  0.396756D+02  0.711091D+02 -0.143303D+01
      5   0.265560D+01  0.772282D+01  0.200485D+01  0.170862D+01  0.654137D+01
      6   0.244989D+01  0.365116D+01  0.173116D+01  0.479796D+01  0.656158D+01
               241           242           243           244           245 
      1  -0.528734D+01 -0.263943D+00  0.318079D+01  0.192861D+01  0.131714D+01
      2  -0.989777D+00 -0.636409D+01  0.145727D+00 -0.617000D+01 -0.854633D-02
      3   0.627712D+01  0.662804D+01 -0.332652D+01  0.424139D+01 -0.130860D+01
      4  -0.732722D+01 -0.140011D+02  0.708639D+01  0.278545D+01  0.520490D+01
      5   0.788594D+01  0.546167D+01 -0.117380D+01 -0.146603D+02  0.656745D+00
      6   0.401512D+01  0.626221D+01 -0.209596D+01 -0.122687D+01 -0.958958D-01
               246           247           248           249           250 
      1  -0.826701D+01  0.126487D+01  0.137140D+01  0.282418D+00 -0.100988D+02
      2   0.700122D+01  0.337609D+00 -0.156482D+01 -0.126990D+01  0.107553D+02
      3   0.126579D+01 -0.160248D+01  0.193426D+00  0.987483D+00 -0.656493D+00
      4  -0.438950D+00  0.832384D+01 -0.123702D+01 -0.492573D+01 -0.206058D+01
      5   0.139323D+02  0.535658D+00 -0.537091D+01 -0.212833D+00  0.195120D+02
      6   0.113306D+01 -0.146997D+01 -0.680318D+00  0.515702D+01  0.914551D+00
               251           252           253           254           255 
      1   0.534533D+00 -0.408737D+01 -0.911804D+02 -0.112045D+02  0.819302D+01
      2  -0.900470D+00 -0.176137D+02  0.495760D+02  0.153472D+02 -0.611472D+01
      3   0.365937D+00  0.217011D+02  0.416044D+02 -0.414273D+01 -0.207830D+01
      4  -0.841783D+01  0.159059D+01 -0.190233D+02  0.270057D+02  0.278490D+01
      5   0.216661D+00 -0.462410D+02  0.119807D+02  0.193097D+00  0.936393D+01
      6   0.372690D+01 -0.462684D+01  0.624032D+01 -0.209094D-01  0.521914D+01
               256           257           258           259           260 
      1   0.195122D+02  0.346010D+02 -0.515011D+01  0.197208D+02 -0.456965D+01
      2   0.242588D+01 -0.261644D+02  0.112473D+02 -0.513831D+01  0.149846D+02
      3  -0.219381D+02 -0.843661D+01 -0.609722D+01 -0.145825D+02 -0.104149D+02
      4   0.434624D+02 -0.567408D+00  0.179631D+02  0.138128D+02  0.257482D+02
      5   0.539262D+01  0.197614D+02 -0.442184D+01  0.109126D+02 -0.858388D+01
      6   0.454426D+01  0.143517D+02 -0.184986D+01  0.493991D+01 -0.414464D+01
               261           262           263           264           265 
      1   0.172699D+02  0.461419D+01 -0.781756D+01  0.517962D+00 -0.335471D+01
      2  -0.631550D+01  0.462809D+01 -0.428946D+01  0.269944D+00 -0.100929D+02
      3  -0.109544D+02 -0.924228D+01  0.121070D+02 -0.787906D+00  0.134476D+02
      4  -0.378988D+01 -0.157272D+02  0.232381D+02 -0.112337D+01  0.272941D+02
      5  -0.297385D+02 -0.756574D+00  0.740900D-01  0.246634D+01  0.130866D-01
      6  -0.144122D+02 -0.312609D+00  0.216393D+00 -0.869227D+00  0.566525D+00
               266           267           268           269           270 
      1  -0.124645D+02 -0.201972D+00  0.152814D+01  0.313691D+01 -0.171141D+01
      2   0.450248D+02 -0.205705D+01  0.472727D+01 -0.167392D+02  0.494404D+01
      3  -0.325604D+02  0.225902D+01 -0.625541D+01  0.136022D+02 -0.323263D+01
      4  -0.690846D+02  0.212199D+01 -0.120765D+02  0.286358D+02 -0.820968D+01
      5  -0.241269D-01 -0.834559D+01  0.352939D+01 -0.739649D+01  0.210265D+01
      6  -0.829585D+00  0.595779D+01 -0.307922D+01  0.870770D+01 -0.263418D+01
               271           272           273           274           275 
      1   0.594035D+01  0.313010D+01  0.595133D+01 -0.234338D+01 -0.735012D+01
      2  -0.529489D+01 -0.361126D+01 -0.241501D+01  0.239856D+00  0.568393D+01
      3  -0.645462D+00  0.481151D+00 -0.353632D+01  0.210353D+01  0.166619D+01
      4   0.936488D+00 -0.314117D+01  0.119732D+01 -0.159117D+01  0.248485D+01
      5   0.372530D+01 -0.356057D+00 -0.118007D+00  0.478766D+00  0.383108D+01
      6   0.182921D+01 -0.106836D+01 -0.158923D+01  0.170280D+00  0.265031D+01
               276           277           278           279           280 
      1  -0.255055D+01  0.120135D+02 -0.295702D+01 -0.127590D+02  0.134182D+03
      2   0.180531D+01 -0.562302D+01  0.354127D+01 -0.312690D+01 -0.630975D+02
      3   0.745239D+00 -0.639050D+01 -0.584252D+00  0.158859D+02 -0.710841D+02
      4   0.375431D+01  0.935162D+01  0.128284D+02  0.889863D+01  0.508552D+02
      5   0.511144D+01  0.765865D+01  0.102934D+02  0.414699D+02 -0.506956D+01
      6   0.639957D+01  0.223350D+01  0.931701D+01  0.229707D+02 -0.210860D+01
               281           282           283           284           285 
      1   0.130236D+02 -0.517843D+01 -0.787692D+01  0.735335D+01  0.701163D+00
      2  -0.161687D+01  0.286212D+01  0.687552D+01 -0.135676D+01 -0.158498D+01
      3  -0.114067D+02  0.231630D+01  0.100139D+01 -0.599659D+01  0.883815D+00
      4   0.206772D+02 -0.818177D+00  0.113231D+02  0.409702D+01 -0.239379D+01
      5  -0.206757D-01  0.125005D+02 -0.388427D+00 -0.264567D+01 -0.693555D-01
      6   0.266019D+00  0.365895D+01 -0.260519D+00 -0.131697D+01  0.753149D+00
               286           287           288           289           290 
      1  -0.134663D+02 -0.826329D+00  0.965068D+01  0.966475D+00  0.138846D+02
      2   0.641058D+01 -0.160561D+01 -0.589813D+01  0.201427D+01 -0.147018D+02
      3   0.705571D+01  0.243194D+01 -0.375254D+01 -0.298075D+01  0.817131D+00
      4  -0.676226D+01 -0.530621D+01  0.469046D+01  0.358060D+01 -0.813453D+01
      5   0.159989D+02  0.278640D+01 -0.662165D+00 -0.319977D+01  0.142448D+01
      6   0.424565D+01  0.217272D+01  0.503497D+00 -0.247218D+01  0.204068D+01
               291           292           293           294           295 
      1  -0.493844D+01  0.899945D+01 -0.305099D+02  0.680737D+01 -0.798801D+01
      2   0.377159D+01 -0.434400D+01  0.478899D+02 -0.997794D+01  0.261826D+01
      3   0.116685D+01 -0.465546D+01 -0.173800D+02  0.317056D+01  0.536975D+01
      4  -0.494348D+00  0.727617D+01  0.441721D+02 -0.105186D+02 -0.675929D+01
      5  -0.262014D+01 -0.699323D+00 -0.128303D+02  0.899961D+01  0.129106D+01
      6  -0.287311D+01 -0.451997D+00 -0.106542D+02  0.869675D+01  0.164703D+00
               296           297 
      1   0.873671D+01 -0.857622D+01
      2  -0.139887D+02  0.760399D+01
      3   0.525200D+01  0.972232D+00
      4  -0.200325D+02  0.888203D+01
      5   0.109160D+02 -0.549666D+01
      6   0.108093D+02 -0.611534D+01
 Leave Link  716 at Wed Sep  8 13:47:14 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.223143D+03 -0.123382D+01  0.545222D+00
      2  -0.123382D+01  0.134629D+03 -0.511942D-01
      3   0.545222D+00 -0.511942D-01  0.153473D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.765601D+01 -0.227799D+01  0.233434D+02
      2  -0.461691D+02  0.509257D+01  0.420998D+02
      3  -0.105332D+03 -0.305893D+02 -0.198998D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.237608D+03  0.373989D+02 -0.781339D+02
      2  -0.130860D+03 -0.381906D+01  0.349098D+02
      3  -0.106748D+03 -0.335798D+02  0.432241D+02
      4  -0.395190D+02  0.554218D+02  0.104660D+02
      5  -0.504040D+02  0.681062D+01  0.907822D+02
      6   0.710691D+01  0.117300D+02 -0.504050D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.131912D+02  0.845657D+00  0.142396D+00  0.188191D+01  0.227294D+01
      2   0.845657D+00  0.115338D+01 -0.521808D-01  0.227294D+01 -0.171665D+01
      3   0.142396D+00 -0.521808D-01  0.316628D+01  0.715710D+00  0.339781D+01
                 6             7             8             9            10 
      1   0.715710D+00  0.156007D+02  0.566876D+00 -0.156353D+01  0.342777D+02
      2   0.339781D+01  0.566876D+00  0.141315D+01  0.425776D+00  0.104651D+01
      3  -0.456252D+00 -0.156353D+01  0.425776D+00  0.113476D+00 -0.167612D+01
                11            12            13            14            15 
      1   0.104651D+01 -0.167612D+01 -0.179107D+01  0.500697D+01  0.532865D+00
      2   0.148237D+01 -0.280373D+00  0.500697D+01 -0.100646D+01 -0.191295D+00
      3  -0.280373D+00  0.323895D+01  0.532865D+00 -0.191295D+00 -0.695731D+00
                16            17            18            19            20 
      1  -0.429855D+01  0.472516D+00  0.944006D+00  0.155931D+02 -0.786127D+00
      2   0.472516D+00 -0.475671D+00 -0.826693D+00 -0.786127D+00 -0.127635D+01
      3   0.944006D+00 -0.826693D+00  0.762160D+00 -0.288920D+00  0.103010D+01
                21            22            23            24            25 
      1  -0.288920D+00 -0.213402D+00 -0.230108D+01  0.647103D+00  0.137007D+02
      2   0.103010D+01 -0.230108D+01 -0.248740D+00  0.350389D+01 -0.119526D+01
      3  -0.248643D+01  0.647103D+00  0.350389D+01  0.584046D+00  0.141710D+01
                26            27            28            29            30 
      1  -0.119526D+01  0.141710D+01 -0.324115D+02  0.161623D+00  0.325845D+00
      2   0.221328D+01  0.165448D+00  0.161623D+00 -0.146644D+01 -0.764531D-01
      3   0.165448D+00  0.610273D+00  0.325845D+00 -0.764531D-01 -0.262518D+01
                31            32            33            34            35 
      1   0.304887D+01 -0.554082D+01 -0.501113D-01  0.150377D+01 -0.127313D+00
      2  -0.554082D+01  0.585358D+00 -0.927226D-01 -0.127313D+00 -0.765660D+00
      3  -0.501113D-01 -0.927226D-01  0.177190D+00 -0.607734D+00 -0.353147D+00
                36            37            38            39            40 
      1  -0.607734D+00  0.109612D+02 -0.436108D+00 -0.292634D+00  0.496757D+00
      2  -0.353147D+00 -0.436108D+00 -0.111544D+01 -0.767861D+00 -0.173840D+01
      3   0.102933D+01 -0.292634D+00 -0.767861D+00 -0.243743D+01 -0.442681D+00
                41            42            43            44            45 
      1  -0.173840D+01 -0.442681D+00 -0.155325D+02  0.753495D+00  0.317232D+00
      2   0.765046D+00 -0.298495D+01  0.753495D+00 -0.154206D+01 -0.417504D-01
      3  -0.298495D+01  0.545171D-01  0.317232D+00 -0.417504D-01 -0.105833D+01
                46            47            48            49            50 
      1  -0.124514D+02  0.218588D+00  0.422286D+00  0.213946D+01  0.148919D+01
      2   0.218588D+00  0.953349D+00  0.104612D+00  0.148919D+01 -0.501929D+00
      3   0.422286D+00  0.104612D+00  0.122706D+01 -0.741436D+00 -0.338512D+01
                51            52            53            54            55 
      1  -0.741436D+00 -0.123235D+02 -0.253487D+00 -0.528447D+00 -0.176258D+02
      2  -0.338512D+01 -0.253487D+00 -0.163879D+01  0.381066D-01 -0.209054D+01
      3  -0.845107D+00 -0.528447D+00  0.381066D-01 -0.785647D+00  0.682564D+00
                56            57            58            59            60 
      1  -0.209054D+01  0.682564D+00 -0.897387D+01 -0.742458D+01  0.509357D+00
      2  -0.296002D+01  0.359796D+00 -0.742458D+01  0.299718D+00  0.156991D+01
      3   0.359796D+00 -0.204332D+01  0.509357D+00  0.156991D+01  0.308870D+01
                61            62            63            64            65 
      1   0.577739D+01  0.490605D+00 -0.408952D+01  0.760231D+00  0.250806D+01
      2   0.490605D+00  0.213856D+01  0.405361D+01  0.250806D+01  0.355127D+01
      3  -0.408952D+01  0.405361D+01 -0.949204D+00  0.265775D+01 -0.896024D+00
                66            67            68            69            70 
      1   0.265775D+01  0.140099D+02  0.695896D+01 -0.201672D+01  0.164578D+00
      2  -0.896024D+00  0.695896D+01  0.114766D+01 -0.184723D+01 -0.116227D+01
      3   0.246910D+01 -0.201672D+01 -0.184723D+01 -0.343650D+01  0.376327D+01
                71            72            73            74            75 
      1  -0.116227D+01  0.376327D+01  0.454204D+01 -0.149796D+01 -0.234155D+01
      2  -0.224656D+01 -0.381272D+01 -0.149796D+01 -0.337011D+01  0.114048D+01
      3  -0.381272D+01  0.321000D+01 -0.234155D+01  0.114048D+01 -0.234498D+01
                76            77            78            79            80 
      1  -0.427656D+01 -0.582430D+01  0.154126D+01 -0.214944D+01  0.126549D+01
      2  -0.582430D+01 -0.214994D+01  0.314964D+01  0.126549D+01  0.282749D+01
      3   0.154126D+01  0.314964D+01  0.355113D+01 -0.385436D+01  0.378065D+01
                81            82            83            84            85 
      1  -0.385436D+01  0.554540D+01 -0.256600D+01 -0.193461D+01 -0.427452D+01
      2   0.378065D+01 -0.256600D+01 -0.321990D+01  0.815472D+00 -0.423024D+01
      3   0.195072D-01 -0.193461D+01  0.815472D+00 -0.203058D+01  0.138609D+01
                86            87            88            89            90 
      1  -0.423024D+01  0.138609D+01 -0.146187D+01  0.120567D+01 -0.260887D+01
      2  -0.404452D+01  0.193570D+01  0.120567D+01  0.325628D+01  0.263353D+01
      3   0.193570D+01  0.289944D+01 -0.260887D+01  0.263353D+01 -0.312609D+01
                91            92            93            94            95 
      1   0.636547D+01  0.238015D+01 -0.346410D+00 -0.722107D+00  0.736554D+01
      2   0.238015D+01  0.251541D+01  0.806923D+00  0.736554D+01 -0.270960D+01
      3  -0.346410D+00  0.806923D+00  0.100719D+01  0.421012D+00  0.145755D+01
                96            97            98            99           100 
      1   0.421012D+00  0.407752D+01  0.486596D+00  0.152388D+01  0.353320D+01
      2   0.145755D+01  0.486596D+00  0.353356D+01 -0.304548D+00 -0.161162D+01
      3  -0.279017D+00  0.152388D+01 -0.304548D+00 -0.501876D+01  0.229840D+01
               101           102           103           104           105 
      1  -0.161162D+01  0.229840D+01 -0.162822D+01 -0.185465D+01 -0.422678D+00
      2  -0.487836D-01 -0.778679D+00 -0.185465D+01  0.373253D+01 -0.202109D+01
      3  -0.778679D+00  0.960191D+00 -0.422678D+00 -0.202109D+01 -0.492098D+00
               106           107           108           109           110 
      1   0.459335D+01 -0.223059D+01  0.250751D+01 -0.550039D+01  0.117470D+01
      2  -0.223059D+01  0.104307D+00 -0.171567D+01  0.117470D+01 -0.113116D+01
      3   0.250751D+01 -0.171567D+01  0.470959D+01 -0.402502D+01  0.508301D+00
               111           112           113           114           115 
      1  -0.402502D+01  0.112374D+01 -0.129756D+01  0.704001D+00 -0.107824D+02
      2   0.508301D+00 -0.129756D+01  0.252034D+00 -0.166273D+01  0.319266D+01
      3  -0.219887D+01  0.704001D+00 -0.166273D+01  0.965428D+00 -0.473774D+01
               116           117           118           119           120 
      1   0.319266D+01 -0.473774D+01  0.639557D+00  0.383159D+00  0.119615D+01
      2  -0.414370D+01  0.171312D+01  0.383159D+00  0.223560D+01 -0.176049D+00
      3   0.171312D+01 -0.937620D+01  0.119615D+01 -0.176049D+00  0.124002D+00
               121           122           123           124           125 
      1   0.225999D+01  0.158645D+01 -0.561485D+00  0.417372D+01 -0.233161D+01
      2   0.158645D+01 -0.445375D+01  0.305013D+01 -0.233161D+01  0.580427D+01
      3  -0.561485D+00  0.305013D+01  0.350060D+00 -0.501558D+00  0.194707D+01
               126           127           128           129           130 
      1  -0.501558D+00  0.332631D+01 -0.394774D+00  0.274114D+01 -0.134797D+01
      2   0.194707D+01 -0.394774D+00  0.418081D+00 -0.536863D+00  0.239173D+00
      3   0.308195D+01  0.274114D+01 -0.536863D+00  0.285829D+01 -0.517882D+00
               131           132           133           134           135 
      1   0.239173D+00 -0.517882D+00  0.295295D+01 -0.491723D+00  0.345774D+01
      2  -0.197390D+00  0.223389D+00 -0.491723D+00  0.913907D+00 -0.105446D+01
      3   0.223389D+00 -0.635610D+00  0.345774D+01 -0.105446D+01  0.675222D+01
               136           137           138           139           140 
      1  -0.219935D+01 -0.976482D-01  0.230077D+01  0.168778D+00  0.338811D-01
      2  -0.976482D-01 -0.151641D+00  0.709881D-01  0.338811D-01 -0.898125D-01
      3   0.230077D+01  0.709881D-01 -0.258979D+01 -0.925419D-01  0.135320D+00
               141           142           143           144           145 
      1  -0.925419D-01  0.219441D+01  0.266301D+00 -0.312629D+01 -0.346160D+01
      2   0.135320D+00  0.266301D+00  0.806679D+00 -0.569673D+00  0.441820D+00
      3  -0.280683D+00 -0.312629D+01 -0.569673D+00  0.864388D+01 -0.206993D+01
               146           147           148           149           150 
      1   0.441820D+00 -0.206993D+01  0.800476D+00 -0.156552D+00  0.461447D+00
      2  -0.446641D+00  0.221054D+00 -0.156552D+00  0.161236D+00 -0.150311D+00
      3   0.221054D+00 -0.199155D+01  0.461447D+00 -0.150311D+00  0.513779D+00
               151           152           153           154           155 
      1  -0.265442D+01  0.251691D+00 -0.291182D+01  0.228124D+01  0.622640D-01
      2   0.251691D+00 -0.787459D+00  0.402974D+00  0.622640D-01  0.186038D+00
      3  -0.291182D+01  0.402974D+00 -0.561893D+01 -0.217255D+01  0.169034D+00
               156           157           158           159           160 
      1  -0.217255D+01 -0.269176D+00 -0.242041D-01  0.118232D+00 -0.248264D+01
      2   0.169034D+00 -0.242041D-01 -0.766032D-01 -0.160203D+00 -0.103154D+00
      3   0.227262D+01  0.118232D+00 -0.160203D+00  0.170251D+00  0.310990D+01
               161           162           163           164           165 
      1  -0.103154D+00  0.310990D+01  0.287230D+01 -0.114300D+01 -0.144055D+01
      2  -0.747233D+00 -0.164146D+00 -0.114300D+01  0.139436D+01  0.550385D+00
      3  -0.164146D+00 -0.795213D+01 -0.144055D+01  0.550385D+00  0.737985D+00
               166           167           168           169           170 
      1  -0.152769D+01  0.257356D+01  0.101172D+01 -0.669653D+01  0.102969D+01
      2   0.257356D+01 -0.429203D+01 -0.238341D+01  0.102969D+01 -0.327112D+01
      3   0.101172D+01 -0.238341D+01 -0.190604D+01  0.252392D+01 -0.267105D+01
               171           172           173           174           175 
      1   0.252392D+01  0.260581D+01 -0.884840D+00  0.166911D+01 -0.280557D-01
      2  -0.267105D+01 -0.884840D+00  0.147038D+01 -0.714011D+00  0.167869D+01
      3  -0.301874D+01  0.166911D+01 -0.714011D+00  0.128044D+01 -0.613992D+00
               176           177           178           179           180 
      1   0.167869D+01 -0.613992D+00  0.458682D+01 -0.837737D+00  0.197981D+01
      2  -0.191279D+01  0.113322D+01 -0.837737D+00  0.202306D+01 -0.211650D+01
      3   0.113322D+01 -0.118917D+01  0.197981D+01 -0.211650D+01  0.349970D+01
               181           182           183           184           185 
      1  -0.196433D+01 -0.155194D+00 -0.165403D+01 -0.672836D+00 -0.989653D+00
      2  -0.155194D+00 -0.124981D+01  0.473347D+00 -0.989653D+00  0.144553D+01
      3  -0.165403D+01  0.473347D+00 -0.145193D+01  0.313808D+00 -0.111518D+01
               186           187           188           189           190 
      1   0.313808D+00 -0.280926D+01  0.191097D+00 -0.106367D+01  0.820976D+00
      2  -0.111518D+01  0.191097D+00 -0.142272D+01  0.185934D+01 -0.958214D+00
      3   0.204148D+01 -0.106367D+01  0.185934D+01 -0.539322D+01 -0.101375D+01
               191           192           193           194           195 
      1  -0.958214D+00 -0.101375D+01 -0.240412D+01  0.195959D+01  0.135991D+01
      2   0.761058D+00  0.414117D+00  0.195959D+01 -0.293334D+01 -0.255005D+01
      3   0.414117D+00  0.105474D+01  0.135991D+01 -0.255005D+01 -0.293553D+01
               196           197           198           199           200 
      1  -0.261916D+01  0.985896D+00  0.269009D+01  0.357180D+01 -0.836194D+00
      2   0.985896D+00 -0.258907D+01 -0.266724D+01 -0.836194D+00  0.106373D+01
      3   0.269009D+01 -0.266724D+01 -0.476715D+01  0.188086D+01 -0.598446D+00
               201           202           203           204           205 
      1   0.188086D+01 -0.172206D+01  0.176526D+01 -0.801810D+00  0.482312D+01
      2  -0.598446D+00  0.176526D+01 -0.112385D+01  0.663491D+00 -0.105097D+01
      3   0.164636D+01 -0.801810D+00  0.663491D+00 -0.141637D+01  0.266983D+01
               206           207           208           209           210 
      1  -0.105097D+01  0.266983D+01  0.418023D+01  0.275871D+01 -0.942634D+00
      2   0.124328D+01 -0.137392D+01  0.275871D+01  0.232550D+01 -0.780881D+00
      3  -0.137392D+01  0.359878D+01 -0.942634D+00 -0.780881D+00  0.920272D+00
               211           212           213           214           215 
      1   0.643055D+01  0.446834D+01 -0.169989D+01 -0.131193D+01 -0.101789D+01
      2   0.446834D+01  0.544484D+01 -0.160776D+01 -0.101789D+01 -0.136123D+01
      3  -0.169989D+01 -0.160776D+01  0.120410D+01  0.177546D+01  0.771491D+00
               216           217           218           219           220 
      1   0.177546D+01  0.137109D+01  0.200618D+00  0.179510D+01 -0.589767D+00
      2   0.771491D+00  0.200618D+00  0.101504D+01  0.113992D-01  0.632699D+00
      3  -0.115365D+01  0.179510D+01  0.113992D-01  0.227021D+01 -0.581740D+00
               221           222           223           224           225 
      1   0.632699D+00 -0.581740D+00  0.229861D+01  0.402897D-01  0.224133D+01
      2  -0.298638D+00  0.607327D+00  0.402897D-01  0.110463D+01 -0.152472D+00
      3   0.607327D+00 -0.172599D+01  0.224133D+01 -0.152472D+00  0.624073D+01
               226           227           228           229           230 
      1  -0.851017D+01  0.557394D+00  0.111340D+01  0.208899D+00 -0.119782D+01
      2   0.557394D+00 -0.205555D+01 -0.839082D+00 -0.119782D+01  0.121733D+01
      3   0.111340D+01 -0.839082D+00 -0.103744D+01 -0.520693D+00  0.915365D-01
               231           232           233           234           235 
      1  -0.520693D+00  0.108784D+01 -0.370615D+00 -0.506416D+00  0.232334D+01
      2   0.915365D-01 -0.370615D+00 -0.378489D-01  0.209859D+00  0.278090D+01
      3   0.754104D-01 -0.506416D+00  0.209859D+00  0.996404D+00  0.128844D+00
               236           237           238           239           240 
      1   0.278090D+01  0.128844D+00  0.286766D+01  0.396247D+01 -0.861434D-01
      2   0.325862D+01  0.952391D-01  0.396247D+01  0.865289D+01 -0.136715D+00
      3   0.952391D-01  0.773601D+00 -0.861434D-01 -0.136715D+00  0.753081D+00
               241           242           243           244           245 
      1  -0.977934D+00 -0.777914D+00  0.849692D+00  0.211616D+00 -0.463897D+00
      2  -0.777914D+00 -0.177547D+01  0.704936D+00 -0.463897D+00 -0.527374D+00
      3   0.849692D+00  0.704936D+00 -0.216971D+00  0.169473D+01 -0.110057D+00
               246           247           248           249           250 
      1   0.169473D+01 -0.462785D+00 -0.989517D+00 -0.102133D+00  0.294023D+01
      2  -0.110057D+00 -0.989517D+00  0.266467D+00  0.795735D+00 -0.142802D-01
      3  -0.125850D+01 -0.102133D+00  0.795735D+00  0.236763D-01 -0.208304D+01
               251           252           253           254           255 
      1  -0.142802D-01 -0.208304D+01  0.912133D+01 -0.465498D+00 -0.123958D+01
      2   0.120673D+01  0.173376D-01 -0.465498D+00 -0.378363D+01 -0.121180D-01
      3   0.173376D-01  0.647387D+01 -0.123958D+01 -0.121180D-01 -0.107235D+01
               256           257           258           259           260 
      1  -0.678374D+01 -0.457079D+01 -0.658489D+00 -0.471183D+01 -0.920588D+00
      2  -0.457079D+01  0.187433D+01 -0.255287D+01 -0.920588D+00 -0.366089D+01
      3  -0.658489D+00 -0.255287D+01  0.467759D+00 -0.125743D+01  0.122740D+01
               261           262           263           264           265 
      1  -0.125743D+01 -0.109196D+01  0.169739D+01  0.891102D-01  0.154278D+01
      2   0.122740D+01  0.169739D+01 -0.231861D+01  0.213640D-01 -0.309256D+01
      3   0.400978D+01  0.891102D-01  0.213640D-01 -0.298949D+00  0.136755D+00
               266           267           268           269           270 
      1  -0.309256D+01  0.136755D+00 -0.754273D+00  0.145136D+01 -0.466878D+00
      2   0.100689D+02 -0.260040D+00  0.145136D+01 -0.403937D+01  0.120183D+01
      3  -0.260040D+00  0.130074D+01 -0.466878D+00  0.120183D+01 -0.302551D+00
               271           272           273           274           275 
      1  -0.398968D+00  0.103037D+00 -0.624462D+00  0.631434D+00  0.258266D+00
      2   0.103037D+00  0.651045D+00  0.160753D+00  0.258266D+00 -0.579858D+00
      3  -0.624462D+00  0.160753D+00  0.367642D+00 -0.466115D-01 -0.612138D+00
               276           277           278           279           280 
      1  -0.466115D-01 -0.215112D+01 -0.582155D+00 -0.545267D+00 -0.160299D+02
      2  -0.612138D+00 -0.582155D+00 -0.178361D+01 -0.145308D+01 -0.220030D+01
      3  -0.728264D+00 -0.545267D+00 -0.145308D+01 -0.580662D+01  0.411783D+00
               281           282           283           284           285 
      1  -0.220030D+01  0.411783D+00  0.113658D+01 -0.984469D+00  0.895781D-01
      2  -0.154337D+01 -0.611160D-01 -0.984469D+00 -0.242736D+00  0.304072D+00
      3  -0.611160D-01 -0.951195D+00  0.895781D-01  0.304072D+00  0.818636D-01
               286           287           288           289           290 
      1   0.183621D+01  0.423601D+00 -0.132084D+01 -0.674010D-01 -0.732665D+00
      2   0.423601D+00  0.640609D+00 -0.301200D+00 -0.732665D+00  0.222958D+01
      3  -0.132084D+01 -0.301200D+00 -0.315143D-01  0.512515D+00 -0.273170D+00
               291           292           293           294           295 
      1   0.512515D+00 -0.105981D+01 -0.347797D-01  0.820073D-02  0.140543D+01
      2  -0.273170D+00 -0.347797D-01 -0.733525D+01  0.169507D+01  0.393743D+00
      3   0.443569D+00  0.820073D-02  0.169507D+01 -0.128031D+01  0.264969D-02
               296           297 
      1   0.393743D+00  0.264969D-02
      2   0.305869D+01 -0.157423D+01
      3  -0.157423D+01  0.824073D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.326697D+01  0.221638D+01  0.215738D+01  0.978317D+01  0.156562D+01
      2   0.624698D+01 -0.142899D+01  0.376935D+01 -0.218021D+01 -0.870743D+00
      3   0.166770D+02 -0.225273D+01 -0.871254D+00  0.107555D+02 -0.514048D+00
                 6             7             8             9            10 
      1  -0.219188D+01 -0.120538D+01  0.249607D+01  0.292092D+00 -0.504943D+01
      2  -0.389462D+00 -0.863669D+01  0.452934D+00 -0.845442D+00 -0.173949D+02
      3  -0.524996D+01 -0.154553D+02 -0.199558D+01  0.993178D+00 -0.333873D+02
                11            12            13            14            15 
      1  -0.734927D+00  0.164409D+01  0.184786D+01  0.596682D+00 -0.103456D+02
      2   0.444535D-01 -0.343167D+01  0.240551D+01 -0.216251D+01 -0.119273D+00
      3   0.829035D-01  0.659625D+00  0.109047D+02 -0.168239D+01  0.289959D+00
                16            17            18            19            20 
      1  -0.337620D+01 -0.262905D+01 -0.832386D+00 -0.385006D+01 -0.984414D+00
      2  -0.273472D+02 -0.306840D+01 -0.310761D+01 -0.741768D+01 -0.128009D-02
      3   0.350494D+01  0.499744D+00 -0.278639D+00 -0.157516D+02  0.742984D+00
                21            22            23            24            25 
      1  -0.118885D+01 -0.607230D+01  0.290629D+01  0.735929D+00 -0.435434D+00
      2   0.799969D+01 -0.272241D+01  0.957675D+00 -0.109353D+01 -0.107201D+02
      3   0.138501D-01  0.106023D+02  0.145995D+01  0.359067D+01 -0.139805D+02
                26            27            28            29            30 
      1   0.335287D+01  0.882999D+00  0.237517D+01 -0.254148D+00 -0.281417D+01
      2   0.646723D+00  0.207316D+01  0.134502D+02  0.100069D+01 -0.463351D+01
      3   0.480002D+01 -0.177914D+01  0.303957D+02 -0.883399D+00 -0.929750D+00
                31            32            33            34            35 
      1  -0.376044D+01  0.129929D+01 -0.104155D+02 -0.480479D+01 -0.172503D+01
      2   0.101940D+00  0.314335D+01  0.126503D+01 -0.302702D+02  0.175089D+01
      3   0.681255D+01  0.424038D+01 -0.606411D+00 -0.709735D+00 -0.434069D+01
                36            37            38            39            40 
      1  -0.859029D-01 -0.150248D+01  0.872949D+00 -0.127495D+01  0.752570D+01
      2  -0.450183D+00 -0.122823D+02 -0.116065D+01  0.564026D+01 -0.601007D+00
      3   0.352490D+01 -0.123223D+02 -0.324739D+00  0.141766D+01  0.139255D+02
                41            42            43            44            45 
      1  -0.259172D+01 -0.302541D+01  0.369831D+01  0.135158D+01 -0.116588D+01
      2  -0.207639D+01  0.129733D+00  0.700646D+01 -0.785644D-01 -0.392781D+01
      3   0.379065D+00 -0.369878D+01  0.162079D+02 -0.238186D+01 -0.177019D+01
                46            47            48            49            50 
      1   0.341654D+01 -0.133669D+01  0.167396D+01 -0.737487D+01 -0.198614D+01
      2   0.137606D+02  0.318339D+00  0.104906D+02 -0.136538D+01  0.108786D+01
      3   0.171016D+02 -0.127712D+01  0.105537D+01  0.127236D+02 -0.108100D+01
                51            52            53            54            55 
      1  -0.223406D+01  0.149350D+01  0.245869D+01 -0.242137D+00  0.403798D+01
      2  -0.199341D+01  0.477513D+01 -0.137966D+00  0.587901D+01  0.353228D+01
      3   0.350066D+01  0.135428D+02  0.822475D+00  0.117414D+01  0.184539D+02
                56            57            58            59            60 
      1   0.187357D+01 -0.109934D+01  0.555548D+01  0.420881D+01  0.184721D+01
      2   0.143212D+00 -0.347073D+01  0.152077D+01  0.601225D+01  0.141304D+02
      3   0.732128D+01 -0.965856D+00  0.398573D+02  0.731192D+01 -0.516636D+01
                61            62            63            64            65 
      1  -0.177146D+01  0.670634D+01 -0.164977D+01 -0.495611D+01 -0.115436D+01
      2  -0.243782D+02  0.149932D+02 -0.613286D+01  0.830004D+01 -0.292943D+01
      3  -0.871001D+01 -0.655077D+01 -0.961664D+01 -0.183111D+02 -0.187059D+02
                66            67            68            69            70 
      1  -0.154241D+01 -0.296249D+01 -0.954154D+00 -0.639821D-01  0.193125D+01
      2   0.147795D+02 -0.821713D+01 -0.618295D+01 -0.176206D+02  0.123518D+02
      3   0.512160D+01 -0.320526D+02 -0.585222D+01  0.568393D+01  0.104939D+02
                71            72            73            74            75 
      1   0.706217D+01 -0.875665D+00  0.163139D+01  0.211405D+01 -0.367336D+00
      2  -0.167687D+02  0.169185D+02 -0.872482D+01  0.515178D+01 -0.136731D+02
      3   0.830012D+01  0.162023D+02  0.866738D+01  0.171656D+02 -0.669665D+01
                76            77            78            79            80 
      1   0.398548D+01  0.853162D+00 -0.513288D+01 -0.248277D-01 -0.161693D+01
      2   0.637560D+01  0.138117D+02  0.225618D+02 -0.287006D+02  0.222436D+02
      3   0.376142D+02  0.109232D+02 -0.179717D+02 -0.691292D+01 -0.158258D+02
                81            82            83            84            85 
      1  -0.243489D+01  0.332841D+01 -0.445823D+01  0.469935D+01 -0.647016D+01
      2  -0.124005D+01 -0.146607D+02  0.659185D+01 -0.232002D+01  0.864892D+01
      3  -0.215308D+02  0.227385D+02  0.470141D+01 -0.780907D+01  0.136302D+02
                86            87            88            89            90 
      1  -0.993180D+01 -0.684459D+01  0.621203D+01 -0.515952D+00  0.896844D+01
      2   0.999944D+01  0.944047D+01 -0.880181D+01  0.843642D+01 -0.103884D+02
      3   0.852048D+01 -0.535212D+01 -0.906564D+01 -0.963646D+01 -0.127227D+02
                91            92            93            94            95 
      1   0.165722D+00  0.873804D+00  0.200748D+01  0.205330D+01 -0.855139D+00
      2  -0.575049D+01 -0.333388D+01  0.110385D+01  0.188700D+01 -0.943285D+01
      3  -0.279793D+01  0.278326D+01  0.282340D+01  0.380746D+02 -0.138382D+02
                96            97            98            99           100 
      1  -0.332082D+01  0.253028D+01  0.501571D+01 -0.199636D+01 -0.835264D+00
      2   0.544367D+00 -0.172413D+02  0.199443D+01  0.179254D+02  0.583805D+01
      3   0.559715D+01 -0.289944D+01  0.108819D+02 -0.252988D+01  0.126286D+02
               101           102           103           104           105 
      1  -0.645422D+01 -0.376377D+01 -0.123665D+01 -0.952997D-01  0.137733D+01
      2   0.523072D+00  0.359946D+01 -0.242372D+01  0.911049D+01  0.658976D+01
      3  -0.153029D+02 -0.218941D+01 -0.968473D+01  0.653490D+01 -0.413507D+01
               106           107           108           109           110 
      1  -0.721703D+01 -0.204933D+01 -0.452387D+01  0.423867D+01  0.379390D+01
      2  -0.783000D+01  0.707058D+01 -0.248075D+02  0.813855D+01 -0.117910D+01
      3  -0.102877D+02  0.948875D+01 -0.481863D+01 -0.318381D+01 -0.397399D+01
               111           112           113           114           115 
      1   0.303281D+01  0.744801D+00  0.370738D+00 -0.352778D+01  0.417159D+01
      2   0.895159D+01  0.576555D+00  0.546987D+01 -0.527201D+01  0.898233D+01
      3  -0.668691D+00 -0.148932D+01  0.258932D+01 -0.606716D+01  0.154298D+02
               116           117           118           119           120 
      1   0.904690D+01  0.112441D+02 -0.366712D+01  0.230500D+01 -0.388871D+00
      2  -0.502312D+01  0.369732D+02 -0.574954D+01  0.134965D+01  0.113089D+01
      3  -0.198151D+02  0.515576D+01 -0.605069D+00  0.788042D+01  0.171839D+01
               121           122           123           124           125 
      1  -0.343161D+00 -0.397582D+01 -0.370863D+01 -0.227283D+01  0.666716D+01
      2  -0.114807D+01 -0.108102D+02 -0.197834D+01 -0.160105D+01 -0.564759D+01
      3   0.685617D+01 -0.107852D+02  0.959494D+01 -0.536922D+01  0.175136D+02
               126           127           128           129           130 
      1  -0.811393D+01  0.222040D+01  0.195427D+01  0.201921D+01 -0.961519D+00
      2  -0.102298D+02 -0.593313D+01 -0.127513D+00 -0.104891D+01  0.181337D+01
      3   0.658428D+01 -0.313057D+01 -0.141023D+01 -0.190550D+01  0.281267D+01
               131           132           133           134           135 
      1  -0.717335D-01 -0.198885D+01  0.271218D+01  0.281945D+01  0.486772D+01
      2  -0.128881D+00 -0.139945D+00 -0.406620D+01 -0.925866D-01  0.134220D+01
      3   0.125729D+00  0.322779D+00 -0.286056D+01 -0.189680D+01 -0.206330D+01
               136           137           138           139           140 
      1   0.177188D+01 -0.159487D+01 -0.199733D+01  0.491769D+00  0.981245D-01
      2   0.480474D+01  0.275157D-01 -0.151393D+01 -0.462853D+00 -0.210783D+00
      3   0.144750D+01 -0.615828D+00 -0.162751D+01  0.977739D+00  0.195681D-01
               141           142           143           144           145 
      1  -0.190139D+01 -0.197790D+01  0.372489D+01  0.535329D+01 -0.228067D+01
      2   0.320284D+00 -0.469246D+01 -0.202339D+00 -0.913363D+00 -0.744954D+01
      3  -0.620607D-01 -0.137805D+01  0.159850D+01  0.191978D+01  0.235974D+01
               146           147           148           149           150 
      1   0.257408D+01 -0.147094D+01  0.306139D+00 -0.376244D+00 -0.113713D+01
      2   0.967646D+00 -0.131171D+01  0.620682D+00  0.361224D-01  0.285427D+00
      3  -0.141641D+01  0.139597D+01  0.155208D+00  0.592769D+00 -0.264204D+00
               151           152           153           154           155 
      1  -0.215364D+01  0.346865D+01 -0.347664D+01 -0.208326D+01 -0.154744D+01
      2  -0.434078D+01  0.329610D+00  0.115549D+01  0.487419D+01  0.448910D+00
      3   0.157405D+01 -0.225089D+01  0.200517D+01 -0.136446D+01 -0.793993D+00
               156           157           158           159           160 
      1   0.134300D+01  0.353096D+00 -0.121115D+00 -0.176596D+01  0.278542D+01
      2  -0.104834D+01 -0.159819D+00 -0.351940D+00  0.640398D-02 -0.440050D+01
      3   0.126723D+01  0.150152D+01  0.204490D+00  0.107338D-01  0.203222D+01
               161           162           163           164           165 
      1   0.371812D+01 -0.540361D+01 -0.963696D+00 -0.622285D-01  0.134338D+01
      2  -0.343702D+00 -0.235062D+01 -0.530775D+01  0.161565D+01  0.421762D+01
      3   0.186239D+01 -0.184689D+01 -0.431897D+00 -0.444491D+01 -0.107955D+00
               166           167           168           169           170 
      1   0.465410D+00 -0.123298D+01 -0.348627D+01  0.272801D+01 -0.100957D+01
      2   0.270053D+01 -0.842578D+01 -0.735569D+01  0.665782D+01 -0.995829D+01
      3  -0.397754D+01  0.106418D+02  0.548982D+01  0.429198D+01  0.956374D+01
               171           172           173           174           175 
      1  -0.385294D+01  0.166492D+01 -0.252659D+00  0.189761D+01 -0.142047D+01
      2  -0.970631D+01  0.642667D+01 -0.260249D+01  0.619930D+01 -0.181091D+01
      3   0.539889D+01 -0.259240D+00 -0.510049D+01  0.685935D+00 -0.268298D+01
               176           177           178           179           180 
      1   0.851001D+00 -0.309345D+01  0.192128D+01 -0.497045D+00  0.509174D+01
      2   0.334930D+01 -0.473879D+01  0.294784D+01 -0.761979D+01  0.130441D+02
      3   0.428210D+01 -0.232479D+01 -0.268524D+01 -0.617340D+01  0.420599D+01
               181           182           183           184           185 
      1   0.286838D+01  0.155980D+01  0.139288D+01  0.663152D+00 -0.565040D+00
      2  -0.108371D+02  0.155305D+01 -0.666398D+01  0.118334D+01 -0.512251D+01
      3  -0.224044D+01  0.374749D+01 -0.286997D+01  0.607545D+01 -0.561148D+01
               186           187           188           189           190 
      1  -0.202109D+01  0.159267D+01  0.170199D+01  0.308898D+01  0.128187D+01
      2   0.768911D+01 -0.103246D+02  0.709627D+01 -0.219244D+02 -0.507837D+01
      3   0.455816D+01 -0.336847D+01  0.509489D+01 -0.867776D+01  0.514293D+01
               191           192           193           194           195 
      1  -0.970208D+00 -0.324283D+00 -0.150230D+01  0.394637D+01  0.109080D+01
      2   0.159840D+01  0.573311D+01  0.406810D+01 -0.124588D+02 -0.159821D+02
      3  -0.508358D+01 -0.267401D+01 -0.814298D+01  0.163944D+02  0.135861D+02
               196           197           198           199           200 
      1  -0.114986D+01  0.473358D+01  0.223070D+01  0.125725D+00 -0.339759D-01
      2   0.997753D+01 -0.142137D+02 -0.241521D+02  0.126423D+02 -0.402744D+01
      3  -0.457752D+01  0.148457D+02  0.145669D+02  0.501827D+01 -0.722373D+01
               201           202           203           204           205 
      1   0.524516D+00 -0.741017D+00 -0.565735D-01 -0.116688D+01 -0.626864D-01
      2   0.120260D+02 -0.509051D+01  0.475773D+01 -0.930905D+01  0.148824D+02
      3   0.361707D+01 -0.786466D+01  0.658721D+01 -0.359686D+01  0.572340D+01
               206           207           208           209           210 
      1   0.152753D+01  0.728847D+00 -0.194983D+01 -0.195414D+01 -0.528874D+00
      2  -0.846168D+01  0.230272D+02 -0.178168D+01 -0.225641D+01  0.634950D+01
      3  -0.800687D+01  0.789495D+01 -0.130096D+02 -0.142185D+02  0.423069D+01
               211           212           213           214           215 
      1  -0.242129D+01 -0.442656D+01 -0.134132D+01 -0.561708D-01  0.178259D+01
      2  -0.445606D+01 -0.579297D+01  0.655892D+01  0.754729D+01  0.316489D+01
      3  -0.202320D+02 -0.303987D+02  0.832059D+01  0.502250D+01  0.777707D+01
               216           217           218           219           220 
      1   0.354029D+00 -0.362065D+01  0.176649D+01 -0.426337D+01  0.149445D+01
      2  -0.511126D+01  0.506663D+01  0.258993D+00  0.774054D+01 -0.559808D+00
      3  -0.356305D+01  0.422247D+00 -0.456338D+01  0.221826D+01 -0.193029D+01
               221           222           223           224           225 
      1  -0.224831D+01  0.285317D+01 -0.424607D+01  0.449160D+01 -0.120363D+02
      2   0.165822D+01 -0.664680D+01  0.260389D+01 -0.654328D+00  0.208148D+02
      3   0.255982D+01 -0.266549D+01  0.311144D+01 -0.500096D+01  0.325312D+01
               226           227           228           229           230 
      1  -0.371169D+01 -0.107332D+01  0.223663D+01 -0.484300D+00  0.388546D+00
      2   0.147388D+02 -0.293726D+01 -0.336595D+01 -0.168700D+01  0.164293D+01
      3  -0.219545D+02  0.582513D+01  0.516264D+01  0.617127D+01 -0.510602D+01
               231           232           233           234           235 
      1  -0.423497D+00  0.263087D+01  0.151479D+01 -0.154768D+01  0.181524D+01
      2  -0.108085D+00 -0.595843D+01  0.410783D+00  0.327583D+01 -0.116038D+01
      3  -0.118078D+01  0.398645D+01 -0.243581D-01 -0.199888D+01 -0.626468D+01
               236           237           238           239           240 
      1   0.283813D+01 -0.283308D+01  0.451498D+01  0.757571D+01 -0.432322D+01
      2  -0.153898D+01  0.390906D+01 -0.310192D+01 -0.364285D+01  0.391397D+01
      3  -0.947800D+01 -0.361633D+00 -0.605156D+01 -0.267980D+02 -0.172859D-01
               241           242           243           244           245 
      1  -0.218627D+01 -0.148931D+01  0.137889D+01  0.417110D+00 -0.577983D+00
      2   0.267176D+01  0.276710D+01 -0.110685D+01 -0.665501D+01  0.571208D+00
      3   0.163082D+01  0.590031D+01 -0.124590D+01 -0.109508D+01 -0.223055D+01
               246           247           248           249           250 
      1  -0.788855D+00 -0.368321D+00  0.625086D+00 -0.332715D+00 -0.122990D+01
      2   0.398893D+01  0.167137D+00 -0.153788D+01 -0.708527D-01  0.144345D+01
      3  -0.108390D+01 -0.131624D+01  0.102244D+01  0.219034D+01 -0.101522D+01
               251           252           253           254           255 
      1   0.332668D+01  0.259145D+01 -0.146676D+01  0.583275D+00 -0.291837D+01
      2  -0.206291D+00 -0.203981D+02  0.950287D+01  0.113441D+01  0.711299D+01
      3   0.329310D+01  0.167773D+01 -0.201026D+02 -0.166244D+02  0.198896D+01
               256           257           258           259           260 
      1  -0.140250D+01 -0.591927D+01  0.606628D+00 -0.649190D+00  0.579675D+01
      2   0.460205D+01  0.107107D+02 -0.348794D+01  0.490172D+01 -0.545710D+01
      3  -0.895331D+01  0.143650D+02 -0.957429D+01  0.991687D+00 -0.124209D+02
               261           262           263           264           265 
      1   0.847118D+01  0.796019D+00 -0.102175D+01  0.108925D+01 -0.242336D+01
      2  -0.190390D+02  0.915097D-01 -0.622716D+00  0.920806D+00 -0.896773D+00
      3   0.623967D+01  0.340926D+01 -0.535700D+01 -0.700098D+00 -0.517811D+01
               266           267           268           269           270 
      1   0.705598D+01 -0.424361D+01  0.108104D+01 -0.274717D+01  0.241389D+01
      2   0.245617D+01 -0.467408D+01  0.106332D+01 -0.430587D+01  0.153670D+01
      3   0.309297D+02 -0.491247D+00  0.322492D+01 -0.131196D+02  0.366328D+01
               271           272           273           274           275 
      1  -0.183327D+01 -0.512582D+00  0.924343D+00 -0.318083D+00 -0.164979D+01
      2   0.476257D+01 -0.303052D+00 -0.207243D+01  0.104209D+01  0.250376D+01
      3   0.410088D-01  0.157466D+01  0.143333D+01  0.110114D+01 -0.226405D+01
               276           277           278           279           280 
      1  -0.175122D+01  0.114325D+00  0.775814D+00 -0.118079D+02  0.811176D+00
      2   0.268066D+01 -0.232861D+01  0.520959D+01  0.238834D+02 -0.334375D+01
      3  -0.201375D+01  0.181357D+01 -0.549421D+01 -0.481482D+01  0.169376D+02
               281           282           283           284           285 
      1   0.453172D-01 -0.226872D+01  0.385809D+00  0.726616D+00 -0.422677D+00
      2   0.273384D+00  0.726938D+01 -0.833614D+00 -0.136590D+01  0.213086D+00
      3  -0.621756D+01 -0.120132D+01 -0.419573D+01  0.658652D+00  0.117154D+01
               286           287           288           289           290 
      1  -0.225754D+01  0.266488D+00 -0.342022D+00  0.153671D+01 -0.392873D+00
      2   0.428607D+01  0.909532D+00  0.527709D+00 -0.238197D+01  0.846286D+00
      3  -0.128686D+01  0.207906D+01  0.780382D+00 -0.461304D+01  0.835777D+01
               291           292           293           294           295 
      1   0.184763D+01 -0.175094D+00  0.402038D+01 -0.504202D+01  0.858327D+00
      2  -0.163670D+01  0.359092D-02 -0.613369D+01  0.465056D+01 -0.202931D+01
      3  -0.212116D+01  0.476982D+01 -0.270310D+02  0.680160D+01 -0.202001D+01
               296           297 
      1  -0.221060D+01  0.240331D+01
      2   0.538270D+01 -0.281552D+01
      3   0.106130D+02 -0.598317D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.604655D+01  0.169250D+01 -0.244155D+02  0.846577D+01 -0.127066D+02
      2   0.550511D+01 -0.243292D+01  0.727179D+01 -0.761279D+01  0.128629D+02
      3   0.541446D+00  0.740417D+00  0.171437D+02 -0.852978D+00 -0.156296D+00
      4   0.529227D+01  0.385809D+01  0.334696D+01  0.110248D+02 -0.301469D+01
      5  -0.106222D+02  0.328173D+01 -0.709065D+01  0.423303D+01  0.670443D+01
      6   0.251070D+01  0.424731D+01 -0.286317D+01  0.468339D+01 -0.973061D+01
                 6             7             8             9            10 
      1   0.102875D+02  0.378941D+02  0.330844D+01  0.712278D+01  0.549252D+02
      2  -0.114890D+02 -0.365301D+01 -0.558334D+01  0.342830D+01 -0.235817D+02
      3   0.120155D+01 -0.342411D+02  0.227490D+01 -0.105511D+02 -0.313435D+02
      4   0.608955D+01 -0.260380D+01  0.449938D+01  0.303615D+01 -0.123862D+02
      5   0.216054D+01 -0.460369D+00  0.210323D+01 -0.104077D+02 -0.123439D+02
      6   0.135755D+02  0.544749D+01  0.364068D+01  0.296649D+01  0.717237D+01
                11            12            13            14            15 
      1   0.683508D+01 -0.547369D+01  0.766052D+01  0.154701D+01  0.899168D+00
      2  -0.514729D+01  0.144259D+01 -0.127362D+02  0.903884D+01  0.124620D+01
      3  -0.168780D+01  0.403111D+01  0.507569D+01 -0.105858D+02 -0.214536D+01
      4  -0.600010D+00  0.408840D+00  0.222029D+02 -0.537887D+01 -0.106233D+01
      5  -0.552847D+00  0.106010D+02  0.466758D+01 -0.345124D+00 -0.258162D+01
      6   0.150784D+01 -0.751673D+01  0.887566D+00  0.181617D+01  0.550426D+01
                16            17            18            19            20 
      1  -0.933367D+01 -0.143647D+01 -0.193234D+02  0.443475D+01 -0.497871D+01
      2  -0.906407D+00  0.283433D+01 -0.752797D+00 -0.210810D+00  0.397386D+01
      3   0.102401D+02 -0.139786D+01  0.200762D+02 -0.422394D+01  0.100485D+01
      4   0.541759D+00 -0.135996D+01 -0.356803D+01 -0.413458D+01 -0.101162D+01
      5  -0.149099D+02 -0.332121D+01  0.469697D+00  0.948394D+01 -0.180947D+00
      6  -0.156854D+01 -0.188655D+01 -0.150441D+01 -0.161432D+01 -0.542555D+01
                21            22            23            24            25 
      1   0.238102D+02 -0.121715D+01 -0.109575D+02 -0.144789D+01 -0.243171D+02
      2  -0.108157D+02  0.240117D+01  0.774673D+01 -0.598148D+01 -0.279511D+01
      3  -0.129946D+02 -0.118402D+01  0.321080D+01  0.742937D+01  0.271122D+02
      4   0.107540D+01  0.146058D+02  0.339407D+01 -0.549613D+01 -0.401819D+01
      5  -0.122200D+02 -0.446551D+01 -0.480220D+01  0.205186D+01  0.482339D+01
      6   0.735177D+01 -0.431882D+01 -0.566800D+01  0.151840D+02 -0.274123D+01
                26            27            28            29            30 
      1   0.166122D+01  0.990928D+01  0.247798D+02 -0.122533D+01  0.318614D+01
      2  -0.331016D+01  0.594850D+01 -0.344027D+01  0.464626D+01  0.187736D+01
      3   0.164894D+01 -0.158578D+02 -0.213396D+02 -0.342093D+01 -0.506351D+01
      4  -0.741319D+01 -0.682858D+00  0.236643D+02  0.235085D+01  0.347093D+00
      5  -0.648440D+00  0.105804D+02  0.184473D+01  0.179073D+00  0.853796D+01
      6   0.616999D+01  0.694802D+00 -0.722104D+00 -0.222118D+01  0.379875D+01
                31            32            33            34            35 
      1  -0.325844D+01  0.283628D+01  0.135816D+01 -0.248896D+01  0.372070D+01
      2   0.540648D+01  0.648809D+01 -0.114138D+01 -0.111453D+01  0.422709D-01
      3  -0.214803D+01 -0.932437D+01 -0.216781D+00  0.360349D+01 -0.376297D+01
      4   0.213624D+02  0.192620D+01  0.170888D+01  0.504208D+00  0.620244D+01
      5   0.414687D+00  0.127510D+01 -0.605746D+00 -0.197109D+02 -0.807061D-01
      6  -0.354708D+01  0.982782D+00  0.325403D+01  0.162121D+01 -0.259037D+01
                36            37            38            39            40 
      1  -0.230606D+02  0.127221D+01 -0.851627D+00 -0.250414D+02 -0.325948D+01
      2   0.494093D+00 -0.124045D+01  0.177513D+01  0.952874D+01  0.137780D+01
      3   0.225665D+02 -0.317511D-01 -0.923506D+00  0.155127D+02  0.188168D+01
      4  -0.242315D+01 -0.199285D+01  0.115319D+01  0.647746D+00  0.546185D+01
      5  -0.105807D+01 -0.202341D+02  0.147062D+01 -0.243016D+01  0.215999D+01
      6  -0.346558D+01  0.465803D+01  0.468700D+01  0.453225D+01  0.677083D+01
                41            42            43            44            45 
      1  -0.840175D+01 -0.160250D+01  0.269964D+02 -0.459202D+01  0.117102D+02
      2   0.881718D+01  0.270471D+01  0.260776D+01  0.188494D+01  0.892019D+00
      3  -0.415429D+00 -0.110221D+01 -0.296042D+02  0.270708D+01 -0.126022D+02
      4   0.216119D+01  0.715005D+01  0.610758D+01  0.605912D+01  0.227785D+01
      5   0.447753D+01  0.238362D+01  0.131622D+02  0.792720D+00 -0.939422D+01
      6   0.291212D+01  0.903795D+01  0.282052D+00  0.379044D+01  0.494950D+01
                46            47            48            49            50 
      1  -0.307666D+01 -0.258937D+01  0.217575D+02  0.590816D+01 -0.115461D+02
      2   0.706239D+01  0.285622D+00 -0.812468D+01 -0.298253D+01  0.103055D+02
      3  -0.398573D+01  0.230374D+01 -0.136328D+02 -0.292562D+01  0.124064D+01
      4   0.334578D+01  0.153677D+01 -0.207957D+01  0.295411D+01 -0.238284D+00
      5   0.222253D+02 -0.164470D+01 -0.704035D+01 -0.660845D+01 -0.385343D+01
      6  -0.424628D+01 -0.269346D+01 -0.329957D-01 -0.368240D+01  0.723936D+01
                51            52            53            54            55 
      1  -0.121037D+02 -0.296456D+02 -0.453130D+01  0.123272D+02 -0.422639D+02
      2   0.852717D+01  0.397148D+01  0.437494D+01  0.633212D+01  0.191865D+02
      3   0.357653D+01  0.256741D+02  0.156355D+00 -0.186593D+02  0.230773D+02
      4  -0.526172D+01  0.420949D+01 -0.355603D+01 -0.347897D+00  0.106113D+01
      5  -0.265699D+00  0.107073D+02 -0.157467D+00  0.965342D+01  0.356572D+01
      6   0.131287D+02 -0.205695D+01  0.509719D+01  0.214564D+01 -0.621273D+01
                56            57            58            59            60 
      1  -0.935512D+01 -0.162590D+01 -0.515050D+02 -0.286199D+02  0.923756D+01
      2   0.568904D+01  0.126920D+01  0.282233D+02  0.122653D+02 -0.629057D+01
      3   0.366609D+01  0.356706D+00  0.232817D+02  0.163546D+02 -0.294699D+01
      4  -0.201261D+02  0.166321D+01 -0.505907D+02  0.812464D+01  0.113429D+02
      5   0.257554D+01 -0.154583D+02  0.737964D+01  0.119982D+02  0.230648D+02
      6  -0.100064D+01  0.547606D+01  0.349723D+01 -0.706263D+01 -0.103308D+02
                61            62            63            64            65 
      1   0.993664D+01  0.792222D+01 -0.120742D+02 -0.347140D+02  0.106561D+02
      2  -0.116004D+01 -0.418265D+01  0.324960D+01  0.245256D+02 -0.502568D+01
      3  -0.877660D+01 -0.373956D+01  0.882464D+01  0.101883D+02 -0.563042D+01
      4   0.117612D+01  0.141039D+02  0.334929D+02  0.132129D+02  0.270120D+02
      5  -0.322814D+02  0.298553D+02 -0.884187D+01  0.263990D+02 -0.580978D+01
      6   0.147278D+02 -0.117093D+02 -0.108244D+01  0.615976D+01 -0.137161D+00
                66            67            68            69            70 
      1   0.290216D+02  0.572697D+02  0.445864D+02 -0.120517D+02  0.285561D+02
      2  -0.141962D+02 -0.237304D+02 -0.186367D+02  0.333332D+01 -0.141569D+02
      3  -0.148254D+02 -0.335393D+02 -0.259497D+02  0.871837D+01 -0.143992D+02
      4  -0.384682D+01  0.491714D+02  0.645159D+01 -0.143139D+02 -0.704066D+01
      5   0.163855D+02 -0.180748D+02 -0.166014D+02 -0.281327D+02  0.306296D+02
      6   0.632478D+01 -0.343758D+01 -0.137330D+01 -0.597049D+01  0.967119D+00
                71            72            73            74            75 
      1  -0.719896D+01  0.380233D+02  0.472014D+02 -0.128681D+02 -0.293777D+02
      2  -0.328644D+01 -0.188721D+02 -0.279941D+02  0.342209D+01  0.138252D+02
      3   0.104854D+02 -0.191511D+02 -0.192073D+02  0.944603D+01  0.155525D+02
      4  -0.157680D+02 -0.266328D+02 -0.185076D+02 -0.373345D+02  0.125529D+02
      5  -0.287965D+02  0.210936D+02 -0.261415D+02  0.139735D+02 -0.249819D+02
      6  -0.476261D+01  0.813921D+01  0.239054D+01  0.654648D+01 -0.953864D+00
                76            77            78            79            80 
      1  -0.283502D+02 -0.477724D+02  0.198541D+02 -0.317366D+02  0.171563D+02
      2   0.740051D+01  0.240941D+02 -0.166475D+01  0.137824D+02 -0.791531D+00
      3   0.209497D+02  0.236783D+02 -0.181893D+02  0.179541D+02 -0.163647D+02
      4  -0.622159D+02 -0.246512D+02  0.327942D+02  0.154804D+02  0.283597D+02
      5   0.203649D+02  0.360740D+02  0.387891D+02 -0.426379D+02  0.394922D+02
      6   0.113536D+02  0.464513D+01 -0.676280D+01  0.271335D+00 -0.596226D+01
                81            82            83            84            85 
      1  -0.391387D+02  0.503848D+02 -0.102883D+02 -0.137592D+02 -0.155277D+02
      2   0.241668D+02 -0.336029D+02 -0.699065D+01  0.160281D+02 -0.999495D+01
      3   0.149719D+02 -0.167819D+02  0.172790D+02 -0.226885D+01  0.255227D+02
      4   0.379647D+02 -0.614901D+01 -0.290030D+02  0.160806D+01 -0.373730D+02
      5   0.426782D+00 -0.107759D+02  0.427180D+01 -0.168252D+02  0.806871D+01
      6  -0.622979D+01 -0.585510D+01 -0.178046D+00 -0.528917D+01  0.922401D+00
                86            87            88            89            90 
      1  -0.234031D+02 -0.121777D+01 -0.138738D+02 -0.183386D+01 -0.230154D+02
      2  -0.790208D+01 -0.782837D+00  0.175542D+02  0.479896D+01  0.271591D+02
      3   0.313052D+02  0.200061D+01 -0.368044D+01 -0.296510D+01 -0.414363D+01
      4  -0.384834D+02  0.146990D+02  0.401502D+01  0.250619D+02  0.144395D+02
      5   0.116820D+02  0.242313D+02 -0.244087D+02  0.211339D+02 -0.284271D+02
      6   0.574178D+01  0.100240D+02 -0.335963D+01  0.862351D+01 -0.293707D+01
                91            92            93            94            95 
      1   0.890740D+01 -0.360784D+01  0.483206D+00 -0.123910D+02 -0.218192D+02
      2  -0.110413D+02 -0.348292D+01 -0.298495D+01  0.261101D+01  0.407312D+01
      3   0.213390D+01  0.709076D+01  0.250175D+01  0.977997D+01  0.177461D+02
      4  -0.213898D+02 -0.200655D+02 -0.562439D+01 -0.535306D+02  0.961479D+01
      5  -0.764649D+00 -0.481447D+01 -0.662137D+01 -0.355377D+01 -0.109781D+02
      6  -0.221417D+01 -0.837087D+00 -0.320886D+01 -0.461739D+01 -0.249288D+01
                96            97            98            99           100 
      1  -0.145671D+01 -0.120658D+02 -0.375876D+01 -0.973794D+00 -0.522224D+01
      2   0.126191D+01 -0.540986D+01  0.339046D+00  0.117270D+02  0.374600D+01
      3   0.194796D+00  0.174756D+02  0.341971D+01 -0.107532D+02  0.147625D+01
      4  -0.110264D+02 -0.104332D+02 -0.240318D+02  0.513052D-01  0.967546D+01
      5   0.229290D+00 -0.102998D+02  0.134464D+01  0.382980D+02 -0.201246D+02
      6   0.510998D+00 -0.221919D+01  0.224296D+01  0.361610D+01  0.562262D+01
               101           102           103           104           105 
      1   0.399843D+01 -0.921430D+01  0.139781D+02  0.758041D+01  0.545552D+01
      2  -0.141436D+01  0.921652D+01 -0.111920D+02 -0.145204D+01 -0.918800D+01
      3  -0.258408D+01 -0.221943D-02 -0.278606D+01 -0.612838D+01  0.373248D+01
      4   0.103724D+01  0.604188D+01  0.715789D+01 -0.212827D+02  0.147673D+02
      5   0.554219D+01 -0.756317D+01 -0.115520D-01  0.145667D+02  0.143516D+02
      6  -0.466756D+01  0.581745D+01  0.563554D+01 -0.137066D+02 -0.905802D+01
               106           107           108           109           110 
      1  -0.308398D+02  0.736511D+01 -0.962127D+01  0.418736D+02 -0.627782D+01
      2   0.199574D+02 -0.477129D+01  0.118763D+02 -0.264623D+02  0.174901D+01
      3   0.108824D+02 -0.259382D+01 -0.225505D+01 -0.154113D+02  0.452882D+01
      4   0.163254D+02 -0.599074D+01  0.157232D+02 -0.152987D+02  0.158140D+02
      5  -0.289917D+02  0.140672D+02 -0.417112D+02  0.376413D+02 -0.465076D+01
      6   0.114559D+02 -0.162893D+02  0.137482D+02 -0.101803D+02  0.326315D+01
               111           112           113           114           115 
      1   0.269733D+02 -0.462812D+01  0.227486D+01  0.110213D+01  0.473249D+02
      2  -0.194366D+02 -0.251399D+00  0.107804D+01 -0.151941D+00 -0.282463D+02
      3  -0.753672D+01  0.487952D+01 -0.335290D+01 -0.950187D+00 -0.190786D+02
      4  -0.867035D+01  0.157301D+02 -0.489125D+01  0.125407D+02 -0.226527D+02
      5   0.271880D+02 -0.653590D+01  0.125444D+02 -0.103351D+02  0.484245D+02
      6  -0.612616D+01  0.487727D+01 -0.629375D+01  0.133045D+02 -0.125179D+02
               116           117           118           119           120 
      1  -0.320132D+01  0.106734D+02  0.179368D+01 -0.132658D+02 -0.982914D+01
      2  -0.262932D+01 -0.311878D+02 -0.157211D+01  0.161518D+02  0.431661D+01
      3   0.583065D+01  0.205143D+02 -0.221570D+00 -0.288599D+01  0.551253D+01
      4   0.304460D+02 -0.141902D+02 -0.213730D+01 -0.549313D+01  0.693856D+01
      5  -0.130711D+02  0.755340D+02 -0.869825D+01  0.219346D+01  0.465479D+01
      6   0.153419D+02 -0.280166D+02  0.486681D+01  0.858706D-01 -0.209935D+00
               121           122           123           124           125 
      1  -0.111485D+02 -0.767284D+01 -0.571831D+01 -0.132289D+02 -0.700684D+01
      2   0.155193D+02 -0.740680D+01  0.116333D+02 -0.179868D+00  0.217982D+02
      3  -0.437081D+01  0.150796D+02 -0.591495D+01  0.134088D+02 -0.147913D+02
      4  -0.547037D+01  0.355720D+02 -0.205681D+02  0.209596D+02 -0.385447D+02
      5   0.780782D+01 -0.207247D+02 -0.682875D+01  0.115166D+02 -0.150212D+02
      6  -0.551367D+01  0.205285D+02  0.108363D+02 -0.504013D+01  0.168872D+02
               126           127           128           129           130 
      1  -0.472786D+01  0.599352D+00  0.164874D+01 -0.356399D+01 -0.855773D+00
      2  -0.102524D+01 -0.652880D+01 -0.624355D+00 -0.615543D+01  0.149953D+01
      3   0.575310D+01  0.592944D+01 -0.102438D+01  0.971942D+01 -0.643755D+00
      4  -0.128594D+02 -0.575310D+01  0.419729D+01 -0.528621D+01  0.104046D+01
      5  -0.225267D+02  0.174369D+02 -0.302390D+01  0.175768D+02 -0.264468D+01
      6   0.173375D+02 -0.643544D+01  0.374977D+01 -0.699621D+01  0.188643D+01
               131           132           133           134           135 
      1  -0.168665D+01  0.161529D+01 -0.564120D+01  0.453510D+01 -0.212029D+02
      2  -0.312737D+00  0.840790D+00 -0.751044D+01 -0.617088D+00 -0.121274D+02
      3   0.199939D+01 -0.245608D+01  0.131516D+02 -0.391801D+01  0.333303D+02
      4  -0.151701D+01  0.244735D+01 -0.461024D+01  0.404931D+01 -0.667043D+01
      5   0.252842D+01 -0.346437D+01  0.179760D+02 -0.376983D+01  0.265965D+02
      6  -0.137134D+01  0.357213D+01 -0.725770D+01  0.751579D+01 -0.147685D+02
               136           137           138           139           140 
      1  -0.286671D+01 -0.159044D+00  0.589788D+01 -0.688180D+00 -0.169100D+01
      2  -0.560413D+01  0.552934D-01  0.613986D+01  0.989851D-01 -0.429795D+00
      3   0.847084D+01  0.103751D+00 -0.120377D+02  0.589195D+00  0.212080D+01
      4   0.284442D+01  0.203782D+01 -0.263957D+01  0.475381D+00 -0.160781D+00
      5  -0.116806D+02 -0.682090D+00  0.149296D+02 -0.498521D-01 -0.150605D+01
      6  -0.283546D+01 -0.193873D+01  0.316207D+01 -0.556491D+00 -0.676464D+00
               141           142           143           144           145 
      1   0.854628D+00  0.857021D+01  0.286146D+01 -0.326831D+02  0.295713D+01
      2   0.170098D+00  0.651320D+01 -0.612508D+00 -0.166705D+02 -0.501134D+01
      3  -0.102473D+01 -0.150834D+02 -0.224895D+01  0.493536D+02  0.205421D+01
      4  -0.108680D+01 -0.300281D+01 -0.267802D+01  0.418279D+01  0.830335D+00
      5  -0.198692D+00  0.139693D+02  0.151969D+01 -0.235510D+02  0.110711D+02
      6   0.287542D+01  0.447094D+01  0.688087D+01 -0.123966D+02  0.137142D+01
               146           147           148           149           150 
      1  -0.381174D+00 -0.160324D+01 -0.840518D+00 -0.470535D+00  0.152770D+01
      2   0.624428D+00 -0.410143D+01  0.667933D+00 -0.619212D+00  0.559775D+00
      3  -0.243254D+00  0.570467D+01  0.172585D+00  0.108975D+01 -0.208747D+01
      4   0.285599D+01  0.668723D+00  0.162319D+01 -0.110127D+01  0.537008D+00
      5  -0.104464D+01  0.104824D+02 -0.952639D+00  0.202017D+01 -0.199007D+01
      6   0.142275D+01  0.147061D+01  0.147066D+00 -0.730588D+00  0.120970D+01
               151           152           153           154           155 
      1  -0.422922D+01  0.671605D+00 -0.156189D+02  0.357201D+00  0.130545D+01
      2  -0.539758D+01  0.927918D+00 -0.920782D+01 -0.530815D+01 -0.908786D+00
      3   0.962680D+01 -0.159952D+01  0.248267D+02  0.495095D+01 -0.396661D+00
      4   0.106006D+01  0.271573D+01  0.127456D+01 -0.160336D+01  0.217578D+01
      5   0.130092D+02 -0.105265D+01  0.180475D+02 -0.991141D+01  0.433842D+00
      6   0.212072D+01  0.410262D+01  0.376562D+01  0.335581D+01 -0.168095D+01
               156           157           158           159           160 
      1   0.285716D+01 -0.930924D+00 -0.164570D+01  0.133803D+01  0.413915D+01
      2   0.506378D+01  0.499333D+00 -0.389931D+00  0.145735D+00  0.676652D+01
      3  -0.792094D+01  0.431591D+00  0.203563D+01 -0.148377D+01 -0.109057D+02
      4   0.217579D+01  0.115226D+01 -0.557718D+00 -0.119260D+01  0.152963D+01
      5   0.126139D+02  0.631004D+00 -0.194569D+01 -0.511263D+00  0.133549D+02
      6  -0.417766D+01 -0.117216D+01  0.231103D+00  0.221965D+01 -0.386215D+01
               161           162           163           164           165 
      1  -0.171558D+01 -0.249231D+02  0.131455D+02 -0.541105D+01 -0.678761D+01
      2   0.104212D+01 -0.133852D+02 -0.463993D+01  0.828728D+00  0.272450D+01
      3   0.673462D+00  0.383083D+02 -0.850556D+01  0.458232D+01  0.406311D+01
      4  -0.261019D+01 -0.275096D+01 -0.130214D+02  0.153428D+02  0.666839D+01
      5  -0.310233D+00 -0.213716D+02 -0.118859D+02  0.518220D+01  0.877053D+01
      6   0.562904D+01  0.105700D+02  0.550271D+01 -0.238816D+01 -0.278237D+01
               166           167           168           169           170 
      1  -0.306682D+01 -0.323053D+01 -0.344740D+01 -0.225046D+02 -0.558244D+01
      2  -0.292100D+01  0.126740D+02  0.585247D+01  0.979715D+01  0.640872D+01
      3   0.598782D+01 -0.944346D+01 -0.240507D+01  0.127074D+02 -0.826278D+00
      4   0.241452D+02 -0.319463D+02 -0.174441D+02  0.156478D+02 -0.241899D+02
      5   0.843031D+01 -0.159073D+02 -0.130931D+02  0.207664D+02 -0.182487D+02
      6  -0.630711D+01  0.127792D+02  0.105820D+02 -0.100057D+02  0.127163D+02
               171           172           173           174           175 
      1   0.460329D+00  0.175162D+02 -0.405355D+01  0.897100D+01  0.719027D+00
      2  -0.947346D+00 -0.866583D+01 -0.756555D-02 -0.440576D+01 -0.285956D+01
      3   0.487017D+00 -0.885041D+01  0.406111D+01 -0.456524D+01  0.214053D+01
      4  -0.211179D+02 -0.120309D+02  0.144461D+02 -0.861292D+01  0.145444D+02
      5  -0.208236D+02  0.154827D+02 -0.696067D+01  0.131802D+02 -0.610444D+01
      6   0.124480D+02 -0.520344D+01  0.256923D+01 -0.353653D+01  0.403943D+01
               176           177           178           179           180 
      1   0.174150D+01  0.607750D+00  0.203191D+02  0.578698D+00  0.202782D+01
      2   0.339610D+01 -0.231544D+01 -0.102430D+02 -0.245911D+01 -0.338167D+01
      3  -0.513760D+01  0.170769D+01 -0.100760D+02  0.188041D+01  0.135385D+01
      4  -0.159066D+02  0.938156D+01 -0.135034D+02  0.164673D+02 -0.181678D+02
      5   0.891637D+01 -0.913659D+01  0.184933D+02 -0.160564D+02  0.271597D+02
      6  -0.568658D+01  0.757607D+01 -0.687125D+01  0.900336D+01 -0.104656D+02
               181           182           183           184           185 
      1  -0.123240D+02  0.333680D+01 -0.159190D+02  0.995341D+00 -0.159737D+02
      2   0.369894D+01 -0.174295D+01  0.570728D+01 -0.114909D+01  0.909166D+01
      3   0.862501D+01 -0.159385D+01  0.102117D+02  0.153751D+00  0.688208D+01
      4  -0.212083D+01 -0.565482D+01  0.942056D+00 -0.321579D+01  0.761231D+01
      5  -0.863269D+01  0.144826D+01 -0.549562D+01  0.744010D+00 -0.565023D+01
      6  -0.461665D+01  0.197634D+01 -0.465279D+01  0.187790D+01 -0.598842D+01
               186           187           188           189           190 
      1   0.837647D+01 -0.264019D+02  0.824314D+01 -0.254690D+02  0.108826D+02
      2  -0.396739D+01  0.109403D+02 -0.181163D+01  0.476308D+00 -0.773687D+01
      3  -0.440908D+01  0.154615D+02 -0.643151D+01  0.249926D+02 -0.314570D+01
      4  -0.544814D+01 -0.122034D+00 -0.799729D+01  0.104001D+02 -0.103360D+02
      5   0.133092D+02 -0.229680D+01  0.119962D+02 -0.336803D+02 -0.132682D+02
      6   0.998325D+01 -0.274701D+01  0.788886D+01 -0.140504D+02  0.273438D+01
               191           192           193           194           195 
      1  -0.104729D+02 -0.112840D+02 -0.242183D+02  0.130464D+02  0.701551D+01
      2   0.628016D+01  0.737756D+01  0.151380D+02 -0.805005D+01 -0.940519D+01
      3   0.419276D+01  0.390644D+01  0.908030D+01 -0.499630D+01  0.238968D+01
      4   0.108527D+02  0.586425D+01  0.232639D+02 -0.305655D+02 -0.267117D+02
      5   0.693029D+01  0.155843D+02  0.173780D+02 -0.276949D+02 -0.329442D+02
      6  -0.183208D+01 -0.123785D+01 -0.470784D+01  0.843087D+01  0.853594D+01
               196           197           198           199           200 
      1  -0.244260D+02  0.409419D+01  0.152144D+02  0.474238D+02 -0.112856D+02
      2   0.182988D+02 -0.783547D+01 -0.221534D+02 -0.234187D+02  0.555943D+01
      3   0.612715D+01  0.374128D+01  0.693896D+01 -0.240051D+02  0.572617D+01
      4   0.112346D+02 -0.273149D+02 -0.273993D+02 -0.101808D+02  0.138336D+02
      5   0.337235D+02 -0.288411D+02 -0.519357D+02  0.229914D+02 -0.754056D+01
      6  -0.276124D+01  0.842783D+01  0.793378D+01 -0.631387D+00 -0.749909D+00
               201           202           203           204           205 
      1   0.246342D+02 -0.213469D+02  0.174756D+02 -0.993717D+01  0.566329D+02
      2  -0.115743D+02  0.104984D+02 -0.732111D+01  0.339067D+01 -0.288919D+02
      3  -0.130599D+02  0.108485D+02 -0.101545D+02  0.654650D+01 -0.277410D+02
      4  -0.748749D+01  0.216928D+02 -0.128016D+02  0.772822D+01 -0.120928D+02
      5   0.213683D+02 -0.990761D+01  0.734458D+01 -0.164398D+02  0.329747D+02
      6   0.156117D+00 -0.183205D+00 -0.140255D+01  0.288205D+01 -0.160983D+00
               206           207           208           209           210 
      1  -0.124237D+02  0.284894D+02  0.493276D+02  0.288643D+02 -0.897667D+01
      2   0.515669D+01 -0.165952D+02 -0.215750D+02 -0.118868D+02  0.515499D+01
      3   0.726704D+01 -0.118942D+02 -0.277526D+02 -0.169774D+02  0.382168D+01
      4   0.143617D+02 -0.150908D+02  0.360294D+02  0.318676D+02 -0.101048D+02
      5  -0.155894D+02  0.418158D+02 -0.149816D+02 -0.114901D+02  0.139815D+02
      6   0.243020D+01  0.195910D+00 -0.632259D+01 -0.501576D+01  0.287264D+01
               211           212           213           214           215 
      1   0.597545D+02  0.327594D+02 -0.129191D+02 -0.107381D+02 -0.744838D+01
      2  -0.240055D+02 -0.623843D+01  0.627000D+01  0.696523D+01  0.339573D+01
      3  -0.357489D+02 -0.265209D+02  0.664906D+01  0.377290D+01  0.405265D+01
      4   0.552814D+02  0.633480D+02 -0.186991D+02 -0.124433D+02 -0.154945D+02
      5  -0.228859D+02 -0.198897D+02  0.155096D+02  0.226157D+02  0.962997D+01
      6  -0.100051D+02 -0.119426D+02  0.795234D+01  0.515194D+01  0.735091D+01
               216           217           218           219           220 
      1   0.134590D+02  0.113973D+02 -0.138854D+01  0.121065D+02 -0.696787D+01
      2  -0.819063D+01 -0.992367D+01  0.384708D+01 -0.126495D+02  0.705805D+01
      3  -0.526840D+01 -0.147366D+01 -0.245854D+01  0.542977D+00 -0.901800D-01
      4   0.908622D+01  0.326119D+01  0.881796D+01  0.336030D+01  0.529806D+01
      5  -0.139365D+02  0.190650D+02  0.269367D+00  0.237717D+02 -0.644647D+01
      6  -0.423684D+01  0.376312D+01  0.215372D+01  0.513141D+01  0.810783D+00
               221           222           223           224           225 
      1   0.359050D+01 -0.248653D+01  0.146327D+02 -0.226877D+01  0.367482D+01
      2  -0.251340D+01  0.682258D+01 -0.154329D+02  0.501061D+01 -0.240740D+02
      3  -0.107710D+01 -0.433604D+01  0.800256D+00 -0.274184D+01  0.203991D+02
      4  -0.140006D+01  0.426524D+01  0.456294D+01  0.763868D+01  0.218600D+01
      5   0.594512D+01 -0.150234D+02  0.245135D+02 -0.148732D+01  0.532338D+02
      6  -0.145834D+01  0.499583D+00  0.555458D+01  0.430253D+01  0.137402D+02
               226           227           228           229           230 
      1  -0.548248D+02  0.136319D+02  0.122794D+02  0.748671D+01 -0.108720D+02
      2   0.304738D+02 -0.122024D+02 -0.700432D+01 -0.583667D+01  0.107114D+02
      3   0.243509D+02 -0.142955D+01 -0.527507D+01 -0.165004D+01  0.160532D+00
      4  -0.144568D+02 -0.413296D+01 -0.156897D+01  0.158629D+01  0.348458D+01
      5  -0.774161D+00 -0.403484D+01 -0.367511D+01 -0.137527D+01 -0.608402D+00
      6   0.317817D+01 -0.523099D+01 -0.484034D+01 -0.362509D+01  0.190749D+01
               231           232           233           234           235 
      1  -0.403433D+01  0.968354D+01 -0.287681D+01 -0.654210D+01  0.132317D+02
      2   0.255247D+01 -0.518041D+01  0.982420D+00  0.766339D+00  0.294214D+01
      3   0.148186D+01 -0.450314D+01  0.189439D+01  0.577576D+01 -0.161739D+02
      4  -0.116393D+01  0.989985D+00 -0.247087D+01 -0.136239D+01  0.276411D+02
      5  -0.213257D+01  0.169142D+01 -0.410120D+00  0.504127D+01  0.215804D+01
      6   0.167024D+01 -0.356948D+01  0.293632D+01  0.326211D+01  0.185424D+01
               236           237           238           239           240 
      1   0.125121D+02 -0.658252D+00  0.125841D+02 -0.172303D+01 -0.960611D+00
      2   0.668207D+01 -0.123388D+01  0.978531D+01  0.386226D+02 -0.116418D+01
      3  -0.191941D+02  0.189213D+01 -0.223694D+02 -0.368996D+02  0.212479D+01
      4   0.340112D+02  0.452416D+00  0.396756D+02  0.711091D+02 -0.143303D+01
      5   0.265560D+01  0.772282D+01  0.200485D+01  0.170862D+01  0.654137D+01
      6   0.244989D+01  0.365116D+01  0.173116D+01  0.479796D+01  0.656158D+01
               241           242           243           244           245 
      1  -0.528734D+01 -0.263943D+00  0.318079D+01  0.192861D+01  0.131714D+01
      2  -0.989777D+00 -0.636409D+01  0.145727D+00 -0.617000D+01 -0.854633D-02
      3   0.627712D+01  0.662804D+01 -0.332652D+01  0.424139D+01 -0.130860D+01
      4  -0.732722D+01 -0.140011D+02  0.708639D+01  0.278545D+01  0.520490D+01
      5   0.788594D+01  0.546167D+01 -0.117380D+01 -0.146603D+02  0.656745D+00
      6   0.401512D+01  0.626221D+01 -0.209596D+01 -0.122687D+01 -0.958958D-01
               246           247           248           249           250 
      1  -0.826701D+01  0.126487D+01  0.137140D+01  0.282418D+00 -0.100988D+02
      2   0.700122D+01  0.337609D+00 -0.156482D+01 -0.126990D+01  0.107553D+02
      3   0.126579D+01 -0.160248D+01  0.193426D+00  0.987483D+00 -0.656493D+00
      4  -0.438950D+00  0.832384D+01 -0.123702D+01 -0.492573D+01 -0.206058D+01
      5   0.139323D+02  0.535658D+00 -0.537091D+01 -0.212833D+00  0.195120D+02
      6   0.113306D+01 -0.146997D+01 -0.680318D+00  0.515702D+01  0.914551D+00
               251           252           253           254           255 
      1   0.534533D+00 -0.408737D+01 -0.911804D+02 -0.112045D+02  0.819302D+01
      2  -0.900470D+00 -0.176137D+02  0.495760D+02  0.153472D+02 -0.611472D+01
      3   0.365937D+00  0.217011D+02  0.416044D+02 -0.414273D+01 -0.207830D+01
      4  -0.841783D+01  0.159059D+01 -0.190233D+02  0.270057D+02  0.278490D+01
      5   0.216661D+00 -0.462410D+02  0.119807D+02  0.193097D+00  0.936393D+01
      6   0.372690D+01 -0.462684D+01  0.624032D+01 -0.209094D-01  0.521914D+01
               256           257           258           259           260 
      1   0.195122D+02  0.346010D+02 -0.515011D+01  0.197208D+02 -0.456965D+01
      2   0.242588D+01 -0.261644D+02  0.112473D+02 -0.513831D+01  0.149846D+02
      3  -0.219381D+02 -0.843661D+01 -0.609722D+01 -0.145825D+02 -0.104149D+02
      4   0.434624D+02 -0.567408D+00  0.179631D+02  0.138128D+02  0.257482D+02
      5   0.539262D+01  0.197614D+02 -0.442184D+01  0.109126D+02 -0.858388D+01
      6   0.454426D+01  0.143517D+02 -0.184986D+01  0.493991D+01 -0.414464D+01
               261           262           263           264           265 
      1   0.172699D+02  0.461419D+01 -0.781756D+01  0.517962D+00 -0.335471D+01
      2  -0.631550D+01  0.462809D+01 -0.428946D+01  0.269944D+00 -0.100929D+02
      3  -0.109544D+02 -0.924228D+01  0.121070D+02 -0.787906D+00  0.134476D+02
      4  -0.378988D+01 -0.157272D+02  0.232381D+02 -0.112337D+01  0.272941D+02
      5  -0.297385D+02 -0.756574D+00  0.740900D-01  0.246634D+01  0.130866D-01
      6  -0.144122D+02 -0.312609D+00  0.216393D+00 -0.869227D+00  0.566525D+00
               266           267           268           269           270 
      1  -0.124645D+02 -0.201972D+00  0.152814D+01  0.313691D+01 -0.171141D+01
      2   0.450248D+02 -0.205705D+01  0.472727D+01 -0.167392D+02  0.494404D+01
      3  -0.325604D+02  0.225902D+01 -0.625541D+01  0.136022D+02 -0.323263D+01
      4  -0.690846D+02  0.212199D+01 -0.120765D+02  0.286358D+02 -0.820968D+01
      5  -0.241269D-01 -0.834559D+01  0.352939D+01 -0.739649D+01  0.210265D+01
      6  -0.829585D+00  0.595779D+01 -0.307922D+01  0.870770D+01 -0.263418D+01
               271           272           273           274           275 
      1   0.594035D+01  0.313010D+01  0.595133D+01 -0.234338D+01 -0.735012D+01
      2  -0.529489D+01 -0.361126D+01 -0.241501D+01  0.239856D+00  0.568393D+01
      3  -0.645462D+00  0.481151D+00 -0.353632D+01  0.210353D+01  0.166619D+01
      4   0.936488D+00 -0.314117D+01  0.119732D+01 -0.159117D+01  0.248485D+01
      5   0.372530D+01 -0.356057D+00 -0.118007D+00  0.478766D+00  0.383108D+01
      6   0.182921D+01 -0.106836D+01 -0.158923D+01  0.170280D+00  0.265031D+01
               276           277           278           279           280 
      1  -0.255055D+01  0.120135D+02 -0.295702D+01 -0.127590D+02  0.134182D+03
      2   0.180531D+01 -0.562302D+01  0.354127D+01 -0.312690D+01 -0.630975D+02
      3   0.745239D+00 -0.639050D+01 -0.584252D+00  0.158859D+02 -0.710841D+02
      4   0.375431D+01  0.935162D+01  0.128284D+02  0.889863D+01  0.508552D+02
      5   0.511144D+01  0.765865D+01  0.102934D+02  0.414699D+02 -0.506956D+01
      6   0.639957D+01  0.223350D+01  0.931701D+01  0.229707D+02 -0.210860D+01
               281           282           283           284           285 
      1   0.130236D+02 -0.517843D+01 -0.787692D+01  0.735335D+01  0.701163D+00
      2  -0.161687D+01  0.286212D+01  0.687552D+01 -0.135676D+01 -0.158498D+01
      3  -0.114067D+02  0.231630D+01  0.100139D+01 -0.599659D+01  0.883815D+00
      4   0.206772D+02 -0.818177D+00  0.113231D+02  0.409702D+01 -0.239379D+01
      5  -0.206757D-01  0.125005D+02 -0.388427D+00 -0.264567D+01 -0.693555D-01
      6   0.266019D+00  0.365895D+01 -0.260519D+00 -0.131697D+01  0.753149D+00
               286           287           288           289           290 
      1  -0.134663D+02 -0.826329D+00  0.965068D+01  0.966475D+00  0.138846D+02
      2   0.641058D+01 -0.160561D+01 -0.589813D+01  0.201427D+01 -0.147018D+02
      3   0.705571D+01  0.243194D+01 -0.375254D+01 -0.298075D+01  0.817131D+00
      4  -0.676226D+01 -0.530621D+01  0.469046D+01  0.358060D+01 -0.813453D+01
      5   0.159989D+02  0.278640D+01 -0.662165D+00 -0.319977D+01  0.142448D+01
      6   0.424565D+01  0.217272D+01  0.503497D+00 -0.247218D+01  0.204068D+01
               291           292           293           294           295 
      1  -0.493844D+01  0.899945D+01 -0.305099D+02  0.680737D+01 -0.798801D+01
      2   0.377159D+01 -0.434400D+01  0.478899D+02 -0.997794D+01  0.261826D+01
      3   0.116685D+01 -0.465546D+01 -0.173800D+02  0.317056D+01  0.536975D+01
      4  -0.494348D+00  0.727617D+01  0.441721D+02 -0.105186D+02 -0.675929D+01
      5  -0.262014D+01 -0.699323D+00 -0.128303D+02  0.899961D+01  0.129106D+01
      6  -0.287311D+01 -0.451997D+00 -0.106542D+02  0.869675D+01  0.164703D+00
               296           297 
      1   0.873671D+01 -0.857622D+01
      2  -0.139887D+02  0.760399D+01
      3   0.525200D+01  0.972232D+00
      4  -0.200325D+02  0.888203D+01
      5   0.109160D+02 -0.549666D+01
      6   0.108093D+02 -0.611534D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.625364D+00      0.158952D+01      0.530205D+01
   x          0.403531D+00      0.102567D+01      0.342128D+01
   y         -0.196659D-02     -0.499856D-02     -0.166734D-01
   z          0.477743D+00      0.121430D+01      0.405048D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159665D+03      0.236599D+02      0.263252D+02
   aniso      0.727000D+02      0.107730D+02      0.119866D+02
   xx         0.206967D+03      0.306694D+02      0.341243D+02
   yx        -0.463358D+00     -0.686625D-01     -0.763974D-01
   yy         0.126884D+03      0.188023D+02      0.209204D+02
   zx         0.201432D+00      0.298491D-01      0.332116D-01
   zy        -0.506065D-01     -0.749910D-02     -0.834388D-02
   zz         0.145143D+03      0.215079D+02      0.239308D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170415D+03      0.252529D+02      0.280976D+02
   aniso      0.807913D+02      0.119720D+02      0.133207D+02
   xx         0.223143D+03      0.330663D+02      0.367912D+02
   yx        -0.123382D+01     -0.182833D+00     -0.203429D+00
   yy         0.134629D+03      0.199500D+02      0.221974D+02
   zx         0.545222D+00      0.807935D-01      0.898949D-01
   zy        -0.511942D-01     -0.758620D-02     -0.844079D-02
   zz         0.153473D+03      0.227423D+02      0.253042D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.35628412         -1.49730413          2.94051292
     6          2.05547858         -1.45735212          1.88994254
     6         -2.49559630         -1.25464841          1.43631060
     6         -2.28402527         -0.97930461         -1.16830369
     6          0.12700174         -0.94006781         -2.23444570
     6          2.25550401         -1.17505787         -0.72550377
     6          4.38661432         -1.63331218          3.50856039
     6          5.76038484          0.90865256          3.87786098
     6          8.23505352          0.50956942          5.31042548
     6          4.08696700          2.84472723          5.21320190
     6         -4.62932436         -0.77535690         -2.81412876
     6         -4.50928548          1.67555242         -4.29530484
     8         -3.68433655          1.91738560         -6.40149188
     8         -5.40304324          3.64785327         -2.93738034
     1         -0.56661558         -1.71199336          4.96559337
     1         -4.35100582         -1.28200302          2.30113698
     1          0.33655028         -0.71050606         -4.25671632
     1          4.11015398         -1.14151527         -1.59389629
     1          5.71040603         -2.97437160          2.65930994
     1          3.88575900         -2.39022330          5.36615261
     1          6.21430410          1.64488457          1.99657728
     1          9.46690361         -0.82408225          4.32898339
     1          7.87218885         -0.24112324          7.20146014
     1          9.26344529          2.28478768          5.52844923
     1          3.56913582          2.18017858          7.10114731
     1          2.34634789          3.19316456          4.16726981
     1          5.07367852          4.64345011          5.42982452
     1         -6.26138443         -0.64709785         -1.56188587
     6         -4.93011911         -3.03931338         -4.58658990
     1         -5.17418903          5.15072499         -3.96235958
     1         -3.35193315         -3.14982713         -5.90159305
     1         -6.66586380         -2.88831921         -5.68832980
     1         -4.99305448         -4.77873879         -3.48536316

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.625364D+00      0.158952D+01      0.530205D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.625364D+00      0.158952D+01      0.530205D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159665D+03      0.236599D+02      0.263252D+02
   aniso      0.727000D+02      0.107730D+02      0.119866D+02
   xx         0.181026D+03      0.268252D+02      0.298471D+02
   yx        -0.287663D+00     -0.426272D-01     -0.474292D-01
   yy         0.126883D+03      0.188021D+02      0.209202D+02
   zx         0.305113D+02      0.452131D+01      0.503063D+01
   zy        -0.233752D+00     -0.346385D-01     -0.385405D-01
   zz         0.171086D+03      0.253523D+02      0.282082D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170415D+03      0.252529D+02      0.280976D+02
   aniso      0.807913D+02      0.119720D+02      0.133207D+02
   xx         0.193594D+03      0.286876D+02      0.319193D+02
   yx        -0.869083D+00     -0.128785D+00     -0.143292D+00
   yy         0.134627D+03      0.199496D+02      0.221969D+02
   zx         0.344375D+02      0.510311D+01      0.567798D+01
   zy        -0.722693D+00     -0.107092D+00     -0.119156D+00
   zz         0.183024D+03      0.271214D+02      0.301766D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-14\Freq\RB3LYP\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,0.859135,-0.797445,1.307905\C,1.475419,-0.773087,0.059735
 \C,-0.519198,-0.667837,1.430715\C,-1.322882,-0.517669,0.305982\C,-0.71
 2213,-0.493664,-0.948233\C,0.663373,-0.61923,-1.065423\C,2.970409,-0.8
 67475,-0.082211\C,3.653427,0.477889,-0.39778\C,5.142776,0.265827,-0.66
 4323\C,3.434072,1.499169,0.716682\C,-2.832871,-0.408434,0.441812\C,-3.
 28862,0.891062,-0.193882\O,-3.674162,1.023041,-1.326622\O,-3.185052,1.
 931949,0.663544\H,1.465467,-0.914551,2.198032\H,-0.973985,-0.684881,2.
 413842\H,-1.317893,-0.368693,-1.836932\H,1.116639,-0.598906,-2.049722\
 H,3.214767,-1.57491,-0.87979\H,3.401771,-1.271409,0.838508\H,3.194988,
 0.870891,-1.312084\H,5.304831,-0.437524,-1.483935\H,5.641346,-0.134788
 ,0.222807\H,5.634047,1.20549,-0.924389\H,3.868992,1.14405,1.655622\H,2
 .373464,1.684234,0.88879\H,3.908029,2.451247,0.470321\H,-3.064982,-0.3
 4364,1.50555\C,-3.561082,-1.603695,-0.175784\H,-3.441613,2.729075,0.17
 3539\H,-3.37217,-1.659027,-1.246468\H,-4.638896,-1.523016,-0.02823\H,-
 3.211554,-2.526025,0.287996\\Version=ES64L-G16RevA.03\State=1-A\HF=-65
 7.0243949\RMSD=3.320e-09\RMSF=8.212e-06\ZeroPoint=0.2841235\Thermal=0.
 2998215\Dipole=0.4035307,-0.0019666,0.4777434\DipoleDeriv=-0.1484159,-
 0.026234,0.0716913,-0.0129619,-0.1085145,-0.0069548,0.1232563,-0.01697
 35,0.0442635,0.3415178,0.0456169,-0.037999,-0.0064581,-0.0973671,0.012
 4126,-0.0672727,0.0081317,-0.0634555,-0.0604696,0.0028207,-0.0580472,0
 .0109448,-0.1114543,-0.002284,-0.0197395,-0.0206663,0.091126,0.3022891
 ,-0.0954589,0.0449499,0.0056444,-0.1335451,0.0150136,-0.0515067,0.0267
 952,-0.0817889,-0.095609,0.002114,0.0311894,-0.0009257,-0.1115213,-0.0
 169195,0.0639678,-0.0165491,0.0094274,-0.1279205,-0.02247,-0.0375519,-
 0.0104085,-0.110709,-0.0167675,-0.0941146,0.0007972,0.0883023,0.034197
 3,-0.0379286,0.0471329,-0.1649036,0.0868655,0.0156507,0.0985273,-0.008
 9892,0.141,0.1192779,0.0151562,-0.0266924,0.1670602,0.1227484,0.016050
 7,-0.0514828,0.0272361,0.1118878,-0.0018092,0.0068921,0.0257718,-0.090
 6614,0.0843007,-0.009759,0.0441695,-0.0224396,0.1186169,0.0193504,0.02
 06335,0.0594536,-0.0270162,0.0212906,-0.0821136,0.0601245,-0.0557385,0
 .0652334,-0.0272577,0.1535401,-0.0789502,0.063811,0.0040473,0.0554323,
 -0.1460887,0.0730939,0.0791825,0.4762197,-0.1958682,0.3409697,-0.55564
 68,1.3821126,0.2722787,0.5162445,0.2878132,1.2919292,-0.525907,0.05130
 03,-0.2568345,0.2561322,-0.659183,0.1386257,-0.3823346,-0.0641233,-0.9
 481196,-0.3772416,0.0294008,-0.0064622,0.1586422,-1.0050788,-0.5074918
 ,0.0092797,-0.3854044,-0.6172456,-0.0142904,0.027305,-0.0913706,0.0217
 993,0.1166605,0.010429,-0.0862872,0.0120436,-0.0305014,0.0137486,-0.00
 28881,0.084961,0.0101914,0.1126385,0.0025121,0.0774943,0.0088198,-0.05
 46417,0.0369387,0.0005851,-0.0641234,0.0139975,0.11653,0.0141588,-0.07
 54673,0.0128701,0.003112,0.0196857,0.0129668,0.0767636,0.0134044,0.110
 56,0.0077258,0.0876952,0.0066646,-0.0570758,-0.0473808,0.0126629,0.016
 8045,0.042485,-0.048886,-0.0781911,0.0573428,-0.1129482,-0.0478857,-0.
 0419024,0.0203197,-0.0354521,0.0181729,0.0221961,0.0334951,-0.0919919,
 0.0859866,-0.0853195,-0.0327731,0.0336689,-0.0722788,0.0237648,-0.0178
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 Until you make peace with who you are,
 you'll never be content with what you have.
                           -- Doris Mortman
 Job cpu time:       0 days 10 hours 19 minutes  7.4 seconds.
 Elapsed time:       0 days  1 hours 17 minutes 34.0 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 13:47:15 2021.
